SCHEMBL469848

SCHEMBL469848

COc1ccc(SC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CA5A P35218 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8488919 0.83 MAOB (0.54) ALDH1A1MAPTMAOBMAOAMYC
SCHEMBL4408306 0.80 ALDH1A1 (0.64) ALDH1A1MAPTCA2MAOBMAOA
SCHEMBL28344902 0.79 CA1 (0.52) ALDH1A1MAPTCA2CA1CA7
SCHEMBL10958524 0.76 CA1 (0.48) ALDH1A1MAPTCA2CA1CA7
SCHEMBL17378573 0.75 ACHE (0.45) ALDH1A1MAPTCA2CA1CA7
1,4-Dimethoxybenzene SCHEMBL30704776 0.74 CA1 (0.92) ALDH1A1MAPTCA2CA1CA7
SCHEMBL171086 0.73 MAPT (0.58) ALDH1A1MAPTCA2MYCWDR5
SCHEMBL19605694 0.73 MAPT (0.58) ALDH1A1MAPTCA2MAOACYP1A2
SCHEMBL8568346 0.72 MAOB (0.65) MAPTCA2CA1CA7CA9
SCHEMBL17041364 0.72 MAOB (0.56) ALDH1A1CA2CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
CN-107235875-B A method of synthesis 1,2,2- trifluoro-ethylene sulfide compound 福州大学 2019-02-22 CN disclosed
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 US disclosed
CN-107235875-A A kind of method for synthesizing 1,2,2 trifluoro-ethylene sulfide compounds 福州大学 2017-10-10 CN disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9424998-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2016-08-23 US disclosed
US-9424998-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2016-08-23 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1138657-A1 Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-04 EP disclosed
US-6270843-B1 REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE AIR PRODUCTS AND CHEMICALS, INC. 2001-08-07 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 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 (5 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885MAPT 1892/4885CA2 120/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ALDH1A1 3951/4885MAPT 3764/4885CA2 3772/4885
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 ALDH1A1 501/4885MAPT 4749/4885CA2 80/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ALDH1A1 4528/4885MAPT 3227/4885CA2 3441/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885MAPT 3756/4885CA2 117/4885

“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.