SCHEMBL13761306

SCHEMBL13761306

COc1cccc(OC)c1C(=O)NC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
GAA P10253 2/20 0.50
GFER P55789 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL24571699 0.88 KMT2A (0.60) CA12CA1CA2CA7CA9
SCHEMBL29236942 0.82 KMT2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL4156158 0.80 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6505437 0.80 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL11263913 0.80 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10362901 0.80 ANPEP (0.49) CA12CA1CA2CA7CA9
SCHEMBL18893131 0.79 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPTGAANPC1
SCHEMBL24801414 0.79 TAAR1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27842201 0.78 CTSD (0.65) CA12CA1CA2CA7CA9
SCHEMBL13527523 0.78 CA12 (0.59) CA12CA1CA2CA7CA9

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-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B CA12 4324/4885CA1 3353/4885CA2 2574/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B CA12 4176/4885CA1 3011/4885CA2 2248/4885

“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.