SCHEMBL17268752

SCHEMBL17268752

Cc1ccc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 7/20 0.46
AMY1A P0DUB6 1/20 0.42
ALPL P05186 1/20 0.41
CA9 Q16790 1/20 0.41
NPBWR1 P48145 1/20 0.41
METAP1 P53582 2/20 0.40
CBFB Q13951 2/20 0.40
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPSE Q9Y251 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL17255238 0.91 GUSB (0.43) GUSBAMY1AALPLCA9NPBWR1
SCHEMBL17268754 0.89 MEN1 (0.45) GUSBAMY1ANPBWR1KDM4EALDH1A1
SCHEMBL17268757 0.87 GUSB (0.41) GUSBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17255227 0.87 GUSB (0.48) GUSBALPLCA9NPBWR1KDM4E
SCHEMBL17268756 0.87 GUSB (0.46) GUSBAMY1AMETAP1CBFBMETAP2
SCHEMBL17255244 0.85 GUSB (0.46) GUSBAMY1AALPLCA9NPBWR1
SCHEMBL17268760 0.85 GUSB (0.55) GUSBAMY1AMETAP1CBFBMETAP2
SCHEMBL17268741 0.84 GUSB (0.48) GUSBAMY1AALPLCA9NPBWR1
SCHEMBL17268766 0.84 AMY1A (0.43) GUSBAMY1AALPLCA9NPBWR1
SCHEMBL17268730 0.84 NPC1 (0.42) GUSBALPLCA9NPBWR1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 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 (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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 GUSB 3882/4885AMY1A 4542/4885ALPL 3575/4885

“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.