SCHEMBL8829787

SCHEMBL8829787

O=c1[nH]cccc1Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.49
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
DAO P14920 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
NR3C1 P04150 1/20 0.39
HRH1 P35367 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17457965 0.81 TAAR1 (0.40) KDM4EDAOALDH1A1KMT2ANR3C1
SCHEMBL27587815 0.78 DAO (0.36) PNPTSHRKDM4EMAPTHRH3
SCHEMBL28343693 0.78 L3MBTL1 (0.53) TSHRMAPTHRH3HRH4L3MBTL1
SCHEMBL9948003 0.78 HRH3 (0.62) PNPTSHRKDM4EMAPTHRH3
SCHEMBL11017727 0.76 PNP (0.43) PNPTSHRKDM4EMAPTHRH3
SCHEMBL12578976 0.75 HRH3 (0.59) TSHRMAPTHRH3HRH4L3MBTL1
SCHEMBL1912591 0.73 CYP1A2 (0.51) PNPDAOMEN1KMT2A
SCHEMBL4649823 0.72 KDM4E (0.45) PNPTSHRKDM4EMAPTHRH3
SCHEMBL7011364 0.72 PNP (0.54) PNPTSHRKDM4EMAPTHRH3
SCHEMBL28298068 0.71 HRH3 (0.46) PNPTSHRKDM4EMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624583-B1 Substituted pyridylmethylpyridone as angiotensine II antagonists BAYER AG (DE) 1997-07-23 EP claimed
US-5407948-A For treating hypertension, atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-04-18 US claimed
US-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-04-09 US disclosed
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2018-08-28 US disclosed
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-03-08 US disclosed
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-14 US disclosed
US-9687479-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-06-27 US disclosed
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-03-09 US disclosed
US-9533970-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 US disclosed
EP-0624583-B1 Substituted pyridylmethylpyridone as angiotensine II antagonists BAYER AG (DE) 1997-07-23 EP disclosed
EP-0624583-B1 Substituted pyridylmethylpyridone as angiotensine II antagonists BAYER AG (DE) 1997-07-23 EP 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 (7 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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 PNP 1106/4885TSHR 3654/4885KDM4E 536/4885

“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.