SCHEMBL5120618

SCHEMBL5120618

CC(C)(C)CNC(=O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 4/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL30131483 1.00 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL30975219 0.90 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL7476974 0.90 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL18279086 0.90 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL19075361 0.87 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL10818581 0.85 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL10202747 0.84 KMT2A (0.52) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL16058225 0.83 LOXL2 (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL30131477 0.83 LOXL2 (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL18279294 0.83 KMT2A (0.51) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide CHANDI AMRIK 2008-09-04 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 (6 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KMT2A 3048/4885SMN1; SMN2 1093/4885ALDH1A1 1334/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO KMT2A 4713/4885SMN1; SMN2 1033/4885ALDH1A1 1589/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E KMT2A 3048/4885SMN1; SMN2 1093/4885ALDH1A1 1334/4885
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide MAPKAPK2, MAP3K2, MAP4K2 KMT2A 2225/4885SMN1; SMN2 741/4885ALDH1A1 2450/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KMT2A 3427/4885SMN1; SMN2 1673/4885ALDH1A1 2432/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KMT2A 3427/4885SMN1; SMN2 1673/4885ALDH1A1 2432/4885

“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.