SCHEMBL17488010

SCHEMBL17488010

Nc1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)cc3)n(CCO)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
P2RX3 P56373 13/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
IL6 P05231 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
DRD2 P14416 1/20 0.36
TBXA2R P21731 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
SCHEMBL17488112 0.89 CYP3A4 (0.48) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL18960415 0.89 CYP3A4 (0.46) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17488305 0.89 LMNA (0.47) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17488172 0.89 CYP3A4 (0.54) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL18960423 0.89 CYP3A4 (0.46) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17487446 0.87 CYP3A4 (0.47) CYP3A4P2RX3IL6TLR7
SCHEMBL17487737 0.87 CYP3A4 (0.44) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17488004 0.84 CYP3A4 (0.46) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL18960425 0.83 CYP3A4 (0.50) CYP3A4P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL17488005 0.83 CYP3A4 (0.41) CYP3A4P2RX3

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 CYP3A4 261/4885P2RX3 750/4885SMN1; 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.