SCHEMBL2443384

SCHEMBL2443384

O=CNc1ccnc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.51
SMARCA4 P51532 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.43
LOX P28300 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL23639222 0.76 SMARCA2 (0.51) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL30505955 0.76 LOXL2 (0.52) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL9234478 0.76 SMARCA2 (0.51) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL30016319 0.76 SMARCA2 (0.51) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL2479367 0.76 LOXL2 (0.52) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL2443379 0.75 SMARCA2 (0.51) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL19392146 0.74 SMARCA2 (0.45) SMARCA2SMARCA4LOXL2TAS2R14MGLL
SCHEMBL23176327 0.74 SMARCA2 (0.45) SMARCA2SMARCA4LOXL2LOXHDAC4
SCHEMBL28200272 0.74 HDAC1 (0.50)
Hydrochloric Acid SCHEMBL31696645 0.74 LOXL2 (0.53) SMARCA2SMARCA4LOXL2LOXHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP SMARCA2 4188/4885SMARCA4 4332/4885LOXL2 4056/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H SMARCA2 3822/4885SMARCA4 3502/4885LOXL2 4486/4885

“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.