SCHEMBL13157635

SCHEMBL13157635

COc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 5/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.43
ALOX5 P09917 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13157599 1.00 PTGS2 (0.48) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3104940 0.95 PTGS2 (0.52) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13157609 0.91 PTGS2 (0.47) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3104577 0.91 PTGS2 (0.48) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13157597 0.90 ACHE (0.49) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3109772 0.90 ACHE (0.49) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3105467 0.90 ACHE (0.42) PTGS2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3088434 0.90 ACHE (0.44) ACHEPTGDR2MGLLMAPTGAA
SCHEMBL13157622 0.90 MAPT (0.48) PTGS2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13157602 0.89 TP53 (0.47) PTGS2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 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 (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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 PTGS2 567/4885KDM4E 2081/4885ALDH1A1 1908/4885

“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.