SCHEMBL17487944

SCHEMBL17487944

Nc1ccc2[nH]c(NCc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 2/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FABP4 P15090 2/20 0.39
GRM4 Q14833 1/20 0.38
LMNA P02545 1/20 0.38
TYMS P04818 1/20 0.37
GAA P10253 1/20 0.37
PNLIP P16233 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL17487331 0.89 RAB9A (0.45) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17488211 0.84 RAB9A (0.43) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17487321 0.84 RAB9A (0.42) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17487916 0.84 CHEK2 (0.41) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17487957 0.83 CYP3A4 (0.41) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17488059 0.82 TEC (0.45) RAB9ATP53SMN1; SMN2FABP4
SCHEMBL17487328 0.82 RAB9A (0.54) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17488216 0.81 RAB9A (0.45) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17487684 0.81 RAB9A (0.53) RAB9ATP53SMN1; SMN2MEN1GFER
SCHEMBL17487924 0.80 RAB9A (0.43) RAB9ATP53SMN1; SMN2MEN1GFER

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 RAB9A 3982/4885TP53 2004/4885SMN1; SMN2 3381/4885

“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.