SCHEMBL91356

SCHEMBL91356

CCc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
AKR1B1 P15121 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.40
HTT P42858 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2A13 Q16696 1/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10180159 0.90 TAAR1 (0.43) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL3790392 0.85 GABRA1 (0.46) TAAR1AKR1B1SMN1; SMN2KDM4EPOLB
SCHEMBL6988345 0.85 TAAR1 (0.43) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL726569 0.85 TAAR1 (0.43) TAAR1AKR1B1SMN1; SMN2KDM4EPOLB
SCHEMBL3791097 0.83 ALDH1A1 (0.52) TAAR1AKR1B1SMN1; SMN2KDM4EPOLB
SCHEMBL14370502 0.83 TAAR1 (0.41) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL7950681 0.83 TAAR1 (0.41) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL6829665 0.83 AKR1B1 (0.43) TAAR1AKR1B1SMN1; SMN2KDM4EPOLB
SCHEMBL11462339 0.83 TAAR1 (0.41) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL15302023 0.83 TAAR1 (0.41) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
WO-2024139260-A1 ALLICIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 成都新朝阳作物科学股份有限公司 2024-07-04 WO disclosed
CN-118139910-A Linear block copolymers and curable thermosetting compositions comprising the same 高新特殊工程塑料全球技术有限公司 2024-06-04 CN disclosed
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
CN-116947720-A Allicin derivative and preparation method and application thereof 成都新朝阳作物科学股份有限公司 2023-10-27 CN disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0071833-B1 PROCESS FOR PRODUCING 4-BENZOYLPYRAZOLES ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-02-04 EP disclosed
EP-0186250-A1 Stabilization of flame retardant polycarbonate-polyester compositions GENERAL ELECTRIC COMPANY (US) 1986-07-02 EP disclosed
US-4560814-A Process for alkylating halogenated and trifluoromethylated benzene compounds RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-12-24 US disclosed
US-4555540-A PHOSPHONIC ACID GENERAL ELECTRIC COMPANY (US) 1985-11-26 US disclosed
US-4415739-A Process for producing 4-benzoylpyrazoles ISHIHARA SANGYO KAISHA LTD. (JP) 1983-11-15 US disclosed
EP-0071833-A1 Process for producing 4-benzoylpyrazoles ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-02-16 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-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 TAAR1 132/4885AKR1B1 190/4885SMN1; SMN2 2558/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD TAAR1 2360/4885AKR1B1 2117/4885SMN1; SMN2 2180/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 TAAR1 3181/4885AKR1B1 1322/4885SMN1; SMN2 4726/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR TAAR1 316/4885AKR1B1 3026/4885SMN1; SMN2 4164/4885
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 TAAR1 146/4885AKR1B1 172/4885SMN1; SMN2 2462/4885

“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.