SCHEMBL17488299

SCHEMBL17488299

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)cc2F)nc2ccc(NC3COC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
PPARG P37231 2/20 0.39
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.34
GPR6 P46095 4/20 0.34
SCN9A Q15858 2/20 0.34
P2RX3 P56373 4/20 0.34
BDKRB1 P46663 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL18965852 0.92 CYP3A4 (0.41) CYP3A4PPARGTP53SMN1; SMN2NPC1
SCHEMBL18965926 0.92 CYP3A4 (0.41) CYP3A4PPARGTP53SMN1; SMN2GAA
SCHEMBL18965857 0.91 TP53 (0.37) PPARGTP53SMN1; SMN2POLBGAA
SCHEMBL18965797 0.90 NPC1 (0.47) CYP3A4PPARGTP53GAANPC1
SCHEMBL17488233 0.89 SCN9A (0.46) SCN9A
SCHEMBL17488173 0.88 CYP3A4 (0.48) CYP3A4PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL18965850 0.87 CYP3A4 (0.41) CYP3A4PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL18965948 0.85 CYP3A4 (0.40) CYP3A4PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL18965860 0.85 CYP3A4 (0.44) CYP3A4PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL18965614 0.85 CYP3A4 (0.42) CYP3A4PPARGSMN1; SMN2NPC1RAB9A

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 CYP3A4 261/4885PPARG 472/4885TP53 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.