SCHEMBL17487331

SCHEMBL17487331

Nc1ccc2[nH]c(NCc3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
FABP4 P15090 2/20 0.43
LMNA P02545 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
GFER P55789 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPSE Q9Y251 1/20 0.39
TYMS P04818 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL17487684 0.91 RAB9A (0.53) RAB9ASMN1; SMN2TP53FABP4LMNA
SCHEMBL17488211 0.90 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAGRIN1
SCHEMBL17487924 0.90 RAB9A (0.43) RAB9ASMN1; SMN2TP53FABP4LMNA
SCHEMBL17488059 0.90 TEC (0.45) RAB9ASMN1; SMN2TP53FABP4MAOA
SCHEMBL17487321 0.90 RAB9A (0.42) RAB9ASMN1; SMN2TP53FABP4LMNA
SCHEMBL17487328 0.89 RAB9A (0.54) RAB9ASMN1; SMN2TP53LMNAGRIN1
SCHEMBL17487916 0.89 CHEK2 (0.41) RAB9ASMN1; SMN2TP53FABP4LMNA
SCHEMBL17487944 0.89 RAB9A (0.40) RAB9ASMN1; SMN2TP53FABP4LMNA
SCHEMBL18960390 0.89 CYP3A4 (0.44) RAB9AGRIN1GRIN2BMAOAMAOB
SCHEMBL17487957 0.88 CYP3A4 (0.41) RAB9ASMN1; SMN2TP53FABP4LMNA

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 3982/4885SMN1; SMN2 3381/4885TP53 2004/4885

“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.