SCHEMBL620052

SCHEMBL620052

C=Cc1ccc(CN=C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.34
MIF P14174 4/20 0.34
TRPA1 O75762 2/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
LMNA P02545 2/20 0.30
PSMD14 O00487 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Styrene SCHEMBL8724549 0.87 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMIFTRPA1
SCHEMBL21089 0.82 MIF (0.44) ALDH1A1TSHRMIFTRPA1CYP3A4
SCHEMBL11496946 0.82 CYP2A6 (0.43) ALDH1A1TSHRMIFTRPA1MAPT
SCHEMBL3625899 0.81 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMIFTRPA1
Water SCHEMBL29040332 0.80 MIF (0.43) ALDH1A1TSHRMIFTRPA1CYP3A4
SCHEMBL22471901 0.80 MIF (0.43) ALDH1A1TSHRMIFTRPA1CYP3A4
Water SCHEMBL14972874 0.80 MIF (0.43) ALDH1A1TSHRMIFTRPA1CYP3A4
SCHEMBL22474777 0.80 MIF (0.57) ALDH1A1TSHRMIFTRPA1CYP3A4
SCHEMBL3628956 0.78 TP53 (0.44) ALDH1A1TDP1TSHRMIFTRPA1
SCHEMBL3618228 0.78 MIF (0.40) ALDH1A1TDP1TSHRMIFMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037463-B2 Antimicrobial ophthalmic devices comprising polysiloxane-polyglycerol block copolymers and methods of making and use thereof Clearlab Sg Pte Ltd. (SG) 2024-07-16 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-20230227613-A1 ANTIMICROBIAL OPHTHALMIC DEVICES COMPRISING POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF CLEARLAB SG PTE LTD (SG) 2023-07-20 US disclosed
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed
US-20230212357-A1 WOUND DRESSINGS COMPRISING POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF CLEARLAB SG PTE LTD (SG) 2023-07-06 US disclosed
CN-111971757-B Conductive particle, method for producing same, conductive material, and connection structure 积水化学工业株式会社 2023-03-14 CN disclosed
CN-111902884-B Conductive particle, method for producing same, conductive material, and connection structure 积水化学工业株式会社 2023-03-14 CN disclosed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US disclosed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP disclosed
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-04 US disclosed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-5034492-A Radiation transparent polymers MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-07-23 US disclosed
EP-0160709-A1 Addition polymerizable urethane-based anaerobic adhesives made from tin (II) organoesters THE DOW CHEMICAL COMPANY (US) 1985-11-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1431/4885TDP1 2122/4885TSHR 2698/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 ALDH1A1 1887/4885TDP1 1912/4885TSHR 2785/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 ALDH1A1 1038/4885TDP1 2293/4885TSHR 3423/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1392/4885TDP1 2388/4885TSHR 2654/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1392/4885TDP1 2388/4885TSHR 2654/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF ALDH1A1 1474/4885TDP1 2310/4885TSHR 2827/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 ALDH1A1 1038/4885TDP1 2293/4885TSHR 3423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.