SCHEMBL3604614

SCHEMBL3604614

N#Cc1c(Br)cc(N)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41
HPRT1 P00492 1/20 0.37
PKM P14618 1/20 0.36
DYRK1A Q13627 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM4 O15151 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11715971 0.77 PKM (0.53) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL24400197 0.73 KDM4E (0.37) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11714385 0.73 IDO1 (0.50) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL11672934 0.73 CTSB (0.53) ALDH1A1KDM4EGAAMAPTHPRT1
SCHEMBL10694051 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL150623 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL29429129 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL27848301 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL9005146 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL3607822 0.70 CTSB (0.59) ALDH1A1KDM4EMAPTHPRT1HPGD

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-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ALDH1A1 1763/4885KDM4E 1187/4885MEN1 3834/4885

“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.