SCHEMBL12893701

SCHEMBL12893701

CN(c1ccncc1)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.43
▸ CHKA P35790 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ MPO P05164 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAOA P21397 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
SCHEMBL2636194 0.83 NAPRT (0.59) CHRM5CHKAKDM4EKMT2AMAPT
SCHEMBL12893704 0.79 NOTUM (0.51) KDM4EKMT2AMAPTALDH1A1HTT
SCHEMBL8016216 0.77 NAPRT (0.59) KDM4EKMT2AALDH1A1HTTHPGD
SCHEMBL2196 0.77 — —
SCHEMBL3409151 0.77 CHRM5 (0.68) CHRM5CHKAKDM4EKMT2AMAPT
SCHEMBL103335 0.76 ALDH1A1 (0.67) KDM4EKMT2AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7300524 0.75 NAPRT (0.56) KDM4EKMT2AALDH1A1HTTHPGD
Hydrochloric Acid SCHEMBL6767390 0.75 NAPRT (0.56) KDM4EKMT2AALDH1A1HTTHPGD
Hydrochloric Acid SCHEMBL26328 0.75 NAPRT (0.56) KDM4EKMT2AALDH1A1HTTHPGD
SCHEMBL6300124 0.74 HDAC1 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879880-B2 such as [4-[(2-aminopyridin-4-yl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylamino)phenyl]methanone, used for the treatment of inflammatory diseases, allergic conditions, diabetes, obesity, metabolic syndrome, cognition disorder, cardiovascular and nervous system disorders SCHERING CORPORATION (US) 2011-02-01 — — US disclosed
US-7879880-B2 such as [4-[(2-aminopyridin-4-yl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylamino)phenyl]methanone, used for the treatment of inflammatory diseases, allergic conditions, diabetes, obesity, metabolic syndrome, cognition disorder, cardiovascular and nervous system disorders SCHERING CORPORATION (US) 2011-02-01 — — US disclosed
WO-2007075688-A2 SUBSTITUTED ANILINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists SCHERING CORPORATION 2007-06-21 — — US disclosed
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists SCHERING CORPORATION 2007-06-21 — — 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-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists HRH3, CHRM2, HCRTR2 CHRM5 19/4885CHKA 222/4885KDM4E 2623/4885

“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.

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