SCHEMBL17457967

SCHEMBL17457967

O=c1ccccn1Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DAO P14920 1/20 0.48
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 4/20 0.47
PKM P14618 1/20 0.46
GAA P10253 1/20 0.44
CHKA P35790 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL9752787 0.83 POLB (0.63) POLBNPSR1
SCHEMBL9752676 0.82 POLB (0.58) POLBNPSR1
SCHEMBL20503971 0.81 FLT1 (0.48) KMT2ADAOCYP19A1ACHEGAA
SCHEMBL11687658 0.78 CYP19A1 (0.50) KMT2ADAOCYP19A1ACHEGAA
SCHEMBL1768170 0.77 POLB (0.61) KMT2APOLBNPSR1PKM
SCHEMBL21650581 0.77 KMT2A (0.47) KMT2ACYP1A2FAAH
SCHEMBL4591947 0.77 POLB (0.61) KMT2APOLBNPSR1GAACYP1A2
SCHEMBL1240350 0.77 MAPT (0.56) POLBNPSR1
SCHEMBL16881026 0.77 POLB (0.56) POLBNPSR1
SCHEMBL31066573 0.76 CTRB1 (0.55) DAOMC4RMC5RFAAH

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
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

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 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 KMT2A 748/4885DAO 891/4885CYP19A1 606/4885

“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.