SCHEMBL933896

SCHEMBL933896

COc1ccc(-c2nc(C#N)n(S(=O)(=O)N(C)C)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
OPRK1 P41145 1/20 0.39
ADORA2A P29274 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL9520829 0.89 PTGS2 (0.39) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL932694 0.88 KMT2A (0.38) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9323989 0.86 TSHR (0.49) ADORA1NPC1RAB9AALDH1A1HPGD
SCHEMBL933331 0.84 TSHR (0.34) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL1074589 0.84 PTGS1 (0.41) ADORA1NPC1RAB9AALDH1A1HPGD
SCHEMBL932277 0.84 PTGS2 (0.39) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL9519745 0.74 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2
SCHEMBL4858808 0.73 CYP1A2 (0.36) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9519740 0.71 PTGS2 (0.39) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL1073894 0.71 PTGS2 (0.46) KDM4EMAPTHTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451275-A1 AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION AND ITS USE FOR CONTROLLING PLANT PATHOGENS Ishihara Sangyo Kaisha, Ltd. (JP) 2012-05-16 EP disclosed
WO-2011004901-A1 AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION AND ITS USE FOR CONTROLLING PLANT PATHOGENS ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-01-13 WO disclosed
US-7001605-B2 Composition for controlling harmful bio-organisms and method for controlling harmful bio-organisms using the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-21 US disclosed
US-20020142021-A1 Composition for controlling harmful bio-organisms and method for controlling harmful bio-organisms using the same ISHIHARA SANGYO KAISHA, LTD. 2002-10-03 US disclosed
EP-1194039-A2 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-04-10 EP disclosed
WO-2001005231-A2 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-01-25 WO disclosed
EP-0979034-A1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-02-16 EP disclosed
WO-1998048628-A1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1998-11-05 WO 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-20020142021-A1 Composition for controlling harmful bio-organisms and method for controlling harmful bio-organisms using the same PPA1, IPMK, ERG28 ADORA1 1927/4885NPC1 2630/4885RAB9A 2615/4885

“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.