SCHEMBL2636194

SCHEMBL2636194

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.59
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CHRM5 P08912 1/20 0.45
▸ CHKA P35790 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL5581612 0.88 TSHR (0.60) NAPRTKMT2AMEN1NPC1POLB
SCHEMBL12893701 0.83 CHRM5 (0.43) NAPRTKMT2AKDM4ECHRM5CHKA
SCHEMBL1221272 0.82 TSHR (0.54) NAPRTKMT2AMEN1NPC1POLB
SCHEMBL4755619 0.82 TSHR (0.54) NAPRTKMT2AMEN1NPC1POLB
SCHEMBL2636665 0.81 MKNK1 (0.54) KMT2AMEN1NPC1POLBKDM4E
SCHEMBL12893704 0.80 NOTUM (0.51) KMT2AMEN1NPC1KDM4ETSHR
SCHEMBL3409151 0.78 CHRM5 (0.68) KMT2AMEN1NPC1KDM4ETSHR
SCHEMBL10811978 0.76 HSP90AA1 (0.49) KMT2AMEN1KDM4EHPGDALDH1A1
Isonicotinic Acid SCHEMBL1108 0.76 — —
Isonicotinic Acid SCHEMBL1414914 0.76 NAPRT (1.00) NAPRTKMT2AMEN1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO claimed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 — — US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 — — US disclosed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO 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
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 (2 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 NAPRT 3026/4885KMT2A 296/4885MEN1 536/4885
US-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L NAPRT 4580/4885KMT2A 4/4885MEN1 1264/4885

“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.

Send feedback