SCHEMBL786139

SCHEMBL786139

O=C(Nc1csc(C(=O)O)c1Cl)c1sccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.46
F10 P00742 2/20 0.45
PRSS12 P56730 2/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
AGTR1 P30556 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL2722975 0.75 PRSS12 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL154710 0.75
SCHEMBL1308098 0.74 GRIK1 (0.55) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL940187 0.73 MAPT (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrazine SCHEMBL27615552 0.71 MAPT (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1859781 0.71 GAA (0.69) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13485774 0.70 GAA (0.57) KMT2AMEN1ALDH1A1F10GAA
SCHEMBL4601244 0.70 GAA (0.61) KMT2AMEN1ALDH1A1F10PRSS12
SCHEMBL7970243 0.69 GAA (0.56) KMT2AMEN1ALDH1A1F10GAA
SCHEMBL4370162 0.69 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KMT2A 2222/4885MEN1 2563/4885NPC1 2033/4885

“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.