SCHEMBL17487993

SCHEMBL17487993

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)nc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
KDR P35968 1/20 0.35
ROCK2 O75116 1/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL17488312 0.89 RAB9A (0.41) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL18960426 0.87 NPC1 (0.48) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL18960460 0.86 TP53 (0.41) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL18960456 0.83 NPC1 (0.42) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL17487989 0.82 RAB9A (0.38) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL17488142 0.81 PLK4 (0.38) RAB9ASMN1; SMN2NPC1KMT2AHTT
SCHEMBL18960421 0.80 RAB9A (0.43) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL17488115 0.80 NPC1 (0.50) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL18960417 0.80 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL17488267 0.80 CYP3A4 (0.40) RAB9ASMN1; SMN2NPC1KMT2ALMNA

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 3 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
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 3381/4885NPC1 2764/4885

“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.