SCHEMBL3346416

SCHEMBL3346416

Cn1c(=O)c(C(C)(C)C)nc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
EGLN1 Q9GZT9 2/20 0.38
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
PTGES O14684 1/20 0.36
NPM1 P06748 1/20 0.35
ALK Q9UM73 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL28717999 0.88 MAPT (0.46) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL3475320 0.87 MEN1 (0.43) KMT2AMAPTMEN1RAB9AHTT
Hydrochloric Acid SCHEMBL3473806 0.80 MAPT (0.36) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL3473505 0.80 ALDH1A1 (0.60) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL28712778 0.79 KIF11 (0.40) TP53
SCHEMBL15147633 0.79 TP53 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL21848322 0.78 MEN1 (0.46) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL15112112 0.78 MAPT (0.45) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL10233320 0.78 KDM4E (0.57) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL3349725 0.76 MEN1 (0.47) KMT2AMAPTMEN1RAB9AHTT

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KMT2A 2383/4885MAPT 4626/4885MEN1 952/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KMT2A 2383/4885MAPT 4626/4885MEN1 952/4885

“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.