SCHEMBL7924949

SCHEMBL7924949

Cc1ccc2c(c1)NC(C)S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.33
PTPN7 P35236 1/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 2/20 0.30

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
SCHEMBL7916565 0.84 EPHX2 (0.41) IDO1EPHX2PTPN7KMT2ASMN1; SMN2
SCHEMBL20651254 0.78 IDO1 (0.37) IDO1MAOAMAOBSMN1; SMN2POLB
SCHEMBL22791825 0.78 IDO1 (0.62) IDO1MAOAMAOBKMT2ACYP1A2
SCHEMBL17368390 0.76 IDO1 (0.35) IDO1MAOAMAOBSMN1; SMN2NPC1
SCHEMBL25057121 0.74 NOX1 (0.45) IDO1SMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL12661831 0.72 IDO1 (0.57) IDO1MAOAPTPN7KMT2ABRD4
SCHEMBL16711400 0.72 IDO1 (0.57) IDO1MAOAPTPN7KMT2ABRD4
SCHEMBL338205 0.72 IDO1 (0.57) IDO1MAOAPTPN7KMT2ABRD4
SCHEMBL16181708 0.72 IDO1 (0.57) IDO1MAOAPTPN7KMT2ABRD4
SCHEMBL24124964 0.71 POLB (0.63) KMT2ASMN1; SMN2POLBTP53NPC1

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
WO-2019016293-A1 ANTIBACTERIAL COMPOUNDS Kent Innovation & Enterprise (GB) 2019-01-24 WO disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (2 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB IDO1 3201/4885MAOA 3960/4885MAOB 4207/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 IDO1 596/4885MAOA 641/4885MAOB 48/4885

“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.