SCHEMBL7217441

SCHEMBL7217441

Clc1onc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
GPR3 P46089 1/20 0.40
NOS1 P29475 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
GFER P55789 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL31001160 0.75 ALDH1A1 (0.46) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL9955960 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL4129795 0.73 RBP4 (0.41) ALDH1A1SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL16118411 0.71 GPR3 (0.40) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL1423001 0.71 GPR3 (0.46) ALDH1A1SMN1; SMN2HPGDGPR3KMT2A
SCHEMBL5276597 0.71 GPR3 (0.40) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL1013979 0.71 ALDH1A1 (0.44) MAOAALDH1A1SMN1; SMN2HPGDGPR3
SCHEMBL2484093 0.71 GPR3 (0.40) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL3816281 0.71 GPR3 (0.40) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL570621 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935871-A A kind of preparation method of diazepam intermediate 华中药业股份有限公司 2018-04-20 CN claimed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
US-6252078-B1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-06-26 US disclosed
US-6248894-B1 SUBSTITUTED PYRROLES MONSANTO COMPANY 2001-06-19 US disclosed
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed
US-6166057-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-12-26 US disclosed
US-6133252-A THIOPHENE AND N-BONDED HETEROCYCLIC COMPOUND CHOSEN FROM THE GROUP CONSISTING OF MORPHOLINE, PIPERAZINE, PIPERIDINE, AND PYRROLIDINE, EACH OPTIONALLY SUBSTITUTED WITH C1-C6 ALKYL GROUPS MONSANTO COMPANY (US) 2000-10-17 US disclosed
US-RE36562-E CARBOXAMIDE-SUBSTITUTED THIOPHENES MONSANTO COMPANY (US) 2000-02-08 US disclosed
US-5998466-A PREPLANTING MONSANTO COMPANY (US) 1999-12-07 US disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 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 (1 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-20010046975-A1 Fungicides for the control of take-all disease of plants CNPY3, NAT1, CBR3 MAOA 1319/4885MAOB 705/4885ALDH1A1 3549/4885

“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.