SCHEMBL17487374

SCHEMBL17487374

CN(C)c1nc2cc([N+](=O)[O-])ccc2n1CCOc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
OPRM1 P35372 2/20 0.48
CNR2 P34972 1/20 0.46
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CXCL8 P10145 1/20 0.43
NOD1 Q9Y239 1/20 0.43
NPC1 O15118 1/20 0.43
MCHR1 Q99705 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17487406 0.92 MAPT (0.51) MAPTLMNATDP1OPRM1PKM
SCHEMBL17487511 0.82 CXCL8 (0.53) MAPTLMNATDP1CNR2HTT
SCHEMBL6230911 0.79 MAPT (0.50) MAPTLMNAOPRM1CNR2PKM
SCHEMBL6233612 0.77 IRAK4 (0.48) MAPTLMNAOPRM1PKMPOLB
SCHEMBL18960391 0.75 CXCL8 (0.53) MAPTLMNATDP1HTTTP53
SCHEMBL18960394 0.74 SMN1; SMN2 (0.40) MAPTLMNATDP1POLBHTT
SCHEMBL6231081 0.74 CFTR (0.47) MAPTLMNAOPRM1CNR2PKM
SCHEMBL28180210 0.71 MAPT (0.56) MAPTLMNATDP1POLBMEN1
SCHEMBL6265827 0.71 OPRM1 (0.42) MAPTLMNAOPRM1PKMHTT
SCHEMBL17187269 0.70 KMT2A (0.43) MAPTLMNATDP1OPRM1CNR2

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 MAPT 4695/4885LMNA 1905/4885TDP1 3368/4885

“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.