SCHEMBL4705481

SCHEMBL4705481

NC(CNCCOCc1ccccc1)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
RAB9A P51151 6/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5998231 0.85 ALDH1A1 (0.51) KCNK3KCNK9RAB9ABLMSMN1; SMN2
SCHEMBL4704067 0.83 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL5243911 0.78 ALDH1A1 (0.58) KCNK3KCNK9RAB9ABLMSMN1; SMN2
SCHEMBL4706492 0.78 ALDH1A1 (0.58) KCNK3KCNK9RAB9ABLMSMN1; SMN2
SCHEMBL23011774 0.69 ALDH1A1 (0.84) KCNK3KCNK9RAB9ABLMSMN1; SMN2
SCHEMBL5997716 0.68 HDAC3 (0.39) L3MBTL1
SCHEMBL2997673 0.68 RAB9A (1.00) KCNK3KCNK9RAB9ABLMSMN1; SMN2
SCHEMBL4705473 0.68 KMT2A (0.44) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL18906009 0.68 ALDH1A1 (0.67) KCNK3KCNK9RAB9ABLMSMN1; SMN2
Hydrochloric Acid SCHEMBL31228945 0.67 RAB9A (0.96) KCNK3KCNK9RAB9ABLMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C KCNK3 229/4885KCNK9 428/4885RAB9A 745/4885

“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.