SCHEMBL16724632

SCHEMBL16724632

Nc1cc(-c2cncn2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.49
SULT1A1 P50225 1/20 0.42
MAOB P27338 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ILK Q13418 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL16724633 0.91 APP (0.47) APPSULT1A1ILKMAPTKDM4E
SCHEMBL16724637 0.86 APP (0.44) APPSULT1A1MAOB
SCHEMBL16724640 0.84 APP (0.48) APPSULT1A1MAOBCCNE1CDK2
SCHEMBL15721511 0.84 APP (0.67) APPSULT1A1MAPTKDM4ENPC1
SCHEMBL15704220 0.83 APP (0.49) APPMAOBILK
SCHEMBL15703616 0.81 APP (0.52) APPSULT1A1MAOBCCNE1CDK2
SCHEMBL16724618 0.81 AHR (0.43) APPSULT1A1MAOB
SCHEMBL16724630 0.80 APP (0.57) APPSULT1A1MAOBCCNE1CDK2
SCHEMBL16724631 0.80 APP (0.43) APPSULT1A1MAOB
SCHEMBL15703543 0.79 APP (0.50) APPSULT1A1MAOBCCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187467-B2 2-phenyl benzothiazole linked imidazole compounds as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-17 US disclosed
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-21 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-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NFE2L2, TPT1, CCNT1 APP 3975/4885SULT1A1 169/4885MAOB 2076/4885

“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.