SCHEMBL17488183

SCHEMBL17488183

Nc1ccc2nc(N)n(CCc3ccc(Oc4ccc(Cl)cc4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.52
CXCL8 P10145 2/20 0.52
TNF P01375 1/20 0.49
SOS1 Q07889 1/20 0.49
NOD2 Q9HC29 1/20 0.49
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
CSF1R P07333 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP3A4 P08684 1/20 0.39
CXCR4 P61073 1/20 0.39

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
SCHEMBL17487315 0.89 SOS1 (0.59) NOD1CXCL8TNFSOS1NOD2
SCHEMBL18960413 0.88 CXCL8 (0.46) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487426 0.79 CXCL8 (0.50) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487438 0.78 CXCL8 (0.44) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487358 0.77 SOS1 (0.48) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17488076 0.77 NOD1 (0.63) NOD1CXCL8TNFSOS1NOD2
SCHEMBL18960382 0.77 SOS1 (0.56) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487436 0.77 SOS1 (0.44) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487335 0.77 KDM4E (0.46) NOD1CXCL8TNFSOS1NOD2
SCHEMBL17487443 0.75 TYMS (0.47) NOD1CXCL8TNFSOS1NOD2

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 NOD1 2374/4885CXCL8 834/4885TNF 2621/4885

“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.