SCHEMBL3109772

SCHEMBL3109772

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
PTGS2 P35354 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 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
LMNA P02545 3/20 0.45
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ERBB2 P04626 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL13157597 1.00 ACHE (0.49) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL3104940 0.95 PTGS2 (0.52) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL3104577 0.91 PTGS2 (0.48) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157635 0.90 PTGS2 (0.48) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157599 0.90 PTGS2 (0.48) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157615 0.90 PTGS2 (0.46) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157609 0.90 PTGS2 (0.47) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157622 0.90 MAPT (0.48) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157602 0.89 TP53 (0.47) ACHEPTGS2ALDH1A1MEN1KMT2A
SCHEMBL13157638 0.89 TP53 (0.47) ACHEPTGS2ALDH1A1MEN1KMT2A

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 4 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
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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 ACHE 51/4885PTGS2 567/4885ALDH1A1 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.