SCHEMBL7217418

SCHEMBL7217418

CCNC(=O)c1c(Br)sc2c1CCCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
CYP2C9 P11712 1/20 0.68
MAPT P10636 8/20 0.68
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 7/20 0.68
HPGD P15428 7/20 0.68
KMT2A Q03164 5/20 0.68
HSD17B10 Q99714 5/20 0.68
MEN1 O00255 4/20 0.68
ALOX15 P16050 4/20 0.68
TSHR P16473 2/20 0.68
THRB P10828 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
FLT3 P36888 2/20 0.45
CYP2C19 P33261 1/20 0.44
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL7455453 0.82 ALDH1A1 (0.97) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL7455441 0.79 KDM4E (0.68) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL7223874 0.79 KDM4E (0.64) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL19320694 0.77 MEN1 (0.51) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL19140470 0.76 ALDH1A1 (0.66) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6999008 0.76 ALDH1A1 (0.69) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL6993898 0.75 PTPN1 (0.54) CYP1A2MAPTKDM4EALDH1A1HPGD
SCHEMBL19320697 0.74 KDM4E (0.51) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL4085782 0.73 CYP1A2 (0.71) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL3321873 0.73 ALDH1A1 (0.61) CYP1A2CYP2C9MAPTKDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0538231-B1 Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2001-06-13 EP 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-6028101-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-02-22 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-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 CYP1A2 976/4885CYP2C9 605/4885MAPT 4531/4885

“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.