SCHEMBL4757181

SCHEMBL4757181

CC(C)(C)C1CCc2nc3sc(S)nc3cc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RORC P51449 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4703719 0.84 RORC (0.36) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL5998078 0.82 MAPT (0.35) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL5997040 0.81 TP53 (0.36) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL22690753 0.80 MAPT (0.41) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL22691455 0.80 MAPT (0.41) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL22690756 0.80 MAPT (0.41) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL4705969 0.80 RORC (0.36) MAPTNPSR1MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL5996085 0.79 MAPT (0.41) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL5996075 0.79 TP53 (0.41) MAPTNPSR1MEN1MAPK1KMT2A
SCHEMBL4704261 0.79 MAPT (0.39) MAPTNPSR1MEN1KMT2ASMN1; 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 MAPT 434/4885NPSR1 3591/4885MEN1 1880/4885

“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.