SCHEMBL4704161

SCHEMBL4704161

CC(C)(C)C1CCc2nc3sc(C(=O)NCC#N)cc3cc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RORC P51449 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 6/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5997102 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL13154849 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL5998286 0.84 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL5995970 0.83 EP300 (0.46) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL5998094 0.82 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL4701786 0.82 MAPT (0.40) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL29926097 0.82 MAPT (0.40) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL22691739 0.82 MAPT (0.40) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL22699253 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1RORC
SCHEMBL4702415 0.82 MAPT (0.40) ALDH1A1NPC1RAB9AL3MBTL1RORC

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 ALDH1A1 2371/4885NPC1 919/4885RAB9A 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.