SCHEMBL14874665

SCHEMBL14874665

COc1ccc(-c2nc(SC)ncc2CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
PTGES O14684 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
THRB P10828 1/20 0.40
NTRK1 P04629 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL14874525 0.83 RXFP1 (0.51) HTTKDM4ETHRBNTRK1ALDH1A1
SCHEMBL5681829 0.80 HTT (0.44) HTTKMT2AMEN1ALDH1A1PDE4B
SCHEMBL15634008 0.77 HTT (0.50) HTTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11079379 0.77 KMT2A (0.56) HTTKMT2ASMN1; SMN2RAB9APTGES
SCHEMBL4712339 0.76 HTT (0.76) HTTSMN1; SMN2
SCHEMBL14874458 0.75 ALDH1A1 (0.54) HTTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15633462 0.74 HTT (0.48) HTTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL14874681 0.74 KMT2A (0.56) HTTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL11240864 0.71 NPSR1 (0.64) KMT2AKDM4ESMN1; SMN2RAB9APTGES
SCHEMBL30950282 0.70 LTA4H (0.44) HTTKMT2ASMN1; SMN2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583965-B1 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-8937055-B2 Heterocyclic ring compound having muscle cell or adipocyte differentiation regulating action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-20 US disclosed
US-20130296276-A2 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-07 US disclosed
US-20130116214-A1 HETEROCYCLIC RING COMPOUND UJIKAWA OSAMU (JP) 2013-05-09 US disclosed
EP-2583965-A1 HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 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 (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-20130116214-A1 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 HTT 1741/4885KMT2A 1580/4885KDM4E 794/4885
US-20130296276-A2 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 HTT 1741/4885KMT2A 1580/4885KDM4E 794/4885

“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.