SCHEMBL3475320

SCHEMBL3475320

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HCAR1 Q9BXC0 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.37
NT5E P21589 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL3475092 0.88 ALDH1A1 (0.45) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL3346416 0.87 KMT2A (0.44) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL3473505 0.78 ALDH1A1 (0.60) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL15110814 0.78 MEN1 (0.44) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL3475318 0.78 ALDH1A1 (0.42) RAB9AALDH1A1USP2NPC1TP53
SCHEMBL21848322 0.77 MEN1 (0.46) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL29778120 0.77 MEN1 (0.43) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL28712778 0.75 KIF11 (0.40) TP53CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3378965 0.75 SCN5A (0.44) SMN1; SMN2ALDH1A1TP53KDM4EHPGD
SCHEMBL28717999 0.75 MAPT (0.46) MEN1KMT2AMAPTRAB9AHTT

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-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
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 MEN1 952/4885KMT2A 2383/4885MAPT 4626/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MEN1 952/4885KMT2A 2383/4885MAPT 4626/4885

“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.