SCHEMBL17487446

SCHEMBL17487446

Nc1ccc2nc(NCCO)n(Cc3ccc(Oc4ccc(Cl)cn4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
P2RX3 P56373 17/20 0.43
IL6 P05231 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SOS1 Q07889 1/20 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
SCHEMBL17487355 0.90 SMN1; SMN2 (0.44) CYP3A4P2RX3IL6TLR7SOS1
SCHEMBL17488010 0.87 CYP3A4 (0.45) CYP3A4P2RX3IL6TLR7
SCHEMBL17488297 0.87 CYP3A4 (0.46) CYP3A4P2RX3IL6TLR7
SCHEMBL17487358 0.83 SOS1 (0.48) CYP3A4P2RX3SOS1
SCHEMBL17488305 0.83 LMNA (0.47) CYP3A4P2RX3
SCHEMBL17487435 0.83 P2RX3 (0.43) CYP3A4P2RX3
SCHEMBL17488112 0.82 CYP3A4 (0.48) CYP3A4P2RX3IL6TLR7
SCHEMBL17487737 0.81 CYP3A4 (0.44) CYP3A4P2RX3
SCHEMBL17488172 0.81 CYP3A4 (0.54) CYP3A4P2RX3
SCHEMBL18960415 0.80 CYP3A4 (0.46) CYP3A4P2RX3IL6TLR7

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 750/4885IL6 1167/4885

“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.