SCHEMBL17487511

SCHEMBL17487511

CN(C)c1nc2cc(N)ccc2n1CCOc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.53
NOD1 Q9Y239 1/20 0.53
TP53 P04637 4/20 0.45
CNR2 P34972 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.40
RAD52 P43351 1/20 0.40
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NSD2 O96028 1/20 0.39
NSD3 Q9BZ95 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
SCHEMBL18960391 0.91 CXCL8 (0.53) CXCL8NOD1TP53MAPTLMNA
SCHEMBL18960395 0.86 NTRK1 (0.42) CXCL8NOD1CNR2KDM4EHTT
SCHEMBL17487374 0.82 MAPT (0.53) CXCL8NOD1TP53CNR2MAPT
SCHEMBL18960394 0.78 SMN1; SMN2 (0.40) CXCL8NOD1TP53MAPTLMNA
SCHEMBL17488178 0.77 NTRK1 (0.42) CXCL8NOD1KMT2A
SCHEMBL17487406 0.75 MAPT (0.51) CXCL8NOD1TP53MAPTLMNA
SCHEMBL18965837 0.72 SMN1; SMN2 (0.40) CXCL8NOD1TP53MAPTLMNA
SCHEMBL6231516 0.71 KDM4E (0.43) CNR2KDM4EALDH1A1HTTMCHR1
SCHEMBL6604741 0.70 KDM4E (0.45) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL6232949 0.70 KDM4E (0.41) LMNAKDM4EALDH1A1HTTNPSR1

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 CXCL8 834/4885NOD1 2374/4885TP53 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.