SCHEMBL2904265

SCHEMBL2904265

CC(C)C(=O)NCc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.61
▸ RIPK1 Q13546 1/20 0.58
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ P2RX7 Q99572 3/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL31425839 0.90 ANPEP (0.58) ANPEPRIPK1KMT2AALDH1A1NPC1
SCHEMBL2910972 0.87 RIPK1 (0.56) ANPEPRIPK1KMT2AALDH1A1NPC1
SCHEMBL2749015 0.83 RIPK1 (0.52) ANPEPRIPK1KMT2AALDH1A1NPC1
SCHEMBL30878491 0.83 TAAR1 (0.56) ANPEPRIPK1KMT2ACYP2D6CYP2C9
SCHEMBL1397074 0.82 RIPK1 (0.55) ANPEPRIPK1KMT2AALDH1A1NPC1
SCHEMBL102342 0.81 RIPK1 (0.61) ANPEPRIPK1KMT2AALDH1A1NPC1
SCHEMBL18251689 0.80 ERCC1 (0.56) KMT2AALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL12757441 0.80 LMNA (0.63) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL2456852 0.79 KMT2A (0.58) ANPEPRIPK1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL20569216 0.79 ANPEP (0.48) ANPEPRIPK1KMT2AALDH1A1NPC1

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
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 — — EP disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 — — US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 — — US disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 — — 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 ANPEP 1249/4885RIPK1 4019/4885KMT2A 404/4885

“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.

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