SCHEMBL18960413

SCHEMBL18960413

Nc1ccc2nc(N)n(CCc3ccc(Oc4ccc(Cl)cn4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.46
NOD1 Q9Y239 2/20 0.46
CYP3A4 P08684 1/20 0.45
TNF P01375 1/20 0.40
SOS1 Q07889 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 4/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
P2RX3 P56373 5/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
CSF1R P07333 2/20 0.37
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 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
SCHEMBL17487358 0.91 SOS1 (0.48) CXCL8NOD1CYP3A4TNFSOS1
SCHEMBL17488183 0.88 NOD1 (0.52) CXCL8NOD1CYP3A4TNFSOS1
SCHEMBL17487426 0.85 CXCL8 (0.50) CXCL8NOD1TNFSOS1NOD2
SCHEMBL17487402 0.82 ALDH1A1 (0.48) CXCL8NOD1CYP3A4TNFSOS1
SCHEMBL17488297 0.80 CYP3A4 (0.46) CYP3A4P2RX3
SCHEMBL17488010 0.79 CYP3A4 (0.45) CYP3A4PPARGKMT2AHTTP2RX3
SCHEMBL17487454 0.79 CSF1R (0.50) CXCL8NOD1TNFSOS1NOD2
SCHEMBL17488006 0.79 KMT2A (0.47) CXCL8NOD1TNFSOS1NOD2
SCHEMBL17488305 0.79 LMNA (0.47) CYP3A4KMT2ATP53HTTP2RX3
SCHEMBL17488172 0.78 CYP3A4 (0.54) CYP3A4PPARGKMT2AP2RX3KDM4E

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
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

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 CXCL8 834/4885NOD1 2374/4885CYP3A4 261/4885

“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.