SCHEMBL900780

SCHEMBL900780

Cc1nc2c(-c3ccccc3)c(C(F)(F)F)ccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ENPP1 P22413 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALOX5 P09917 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL901021 0.91 ESR1 (0.38) ESR1ENPP1PIM1PIM3CLK4
SCHEMBL900654 0.79 SCN9A (0.40) ALOX5RAB9ANPC1MAPTHTT
SCHEMBL906904 0.77 TLR8 (0.42) ALOX5RAB9ANPC1MAPTHTT
SCHEMBL22891113 0.76 ALDH1A1 (0.43) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL17426130 0.74 RAB9A (0.46) ALOX5RAB9ANPC1MAPTHTT
SCHEMBL900782 0.72 HSD11B1 (0.44) ALDH1A1HSD11B1CYP2C19
SCHEMBL901023 0.70 ENPP1 (0.41) ENPP1ALOX5MAPTHSD11B1S1PR1
SCHEMBL12234887 0.70 SMN1; SMN2 (0.46) ESR1RAB9ANPC1MAPTHTT
SCHEMBL28846267 0.69 CYP11B2 (0.40) ESR1ENPP1HSD11B1KDM4EPOLB
SCHEMBL12930243 0.69 NPC1 (0.57) RAB9ANPC1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO 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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ESR1 2194/4885ENPP1 3557/4885PIM1 2855/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ESR1 2285/4885ENPP1 3341/4885PIM1 3166/4885

“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.