SCHEMBL6426372

SCHEMBL6426372

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6427572 0.92 RECQL (0.48) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5032372 0.92 KDM4E (0.42) TSHRSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL5027586 0.91 AURKA (0.40) TSHRSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL5030121 0.89 HPGD (0.44) TSHRSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6426138 0.89 HPGD (0.56) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL5032418 0.89 KDM4E (0.40) TSHRSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6428744 0.88 HPGD (0.45) SMN1; SMN2MAPK1NPC1RAB9AMAPT
SCHEMBL6425928 0.88 HPGD (0.39) TSHRSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL5031151 0.87 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6426873 0.87 HPGD (0.47) SMN1; SMN2NPC1RAB9AMAPTTP53

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B TSHR 814/4885SMN1; SMN2 3886/4885MAPK1 7/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TSHR 992/4885SMN1; SMN2 3772/4885MAPK1 6/4885

“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.