SCHEMBL5797199

SCHEMBL5797199

[c]1ncccc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.42
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
AR P10275 1/20 0.35
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KIF11 P52732 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19439 0.84 NOTUM (0.39) NOTUMCYP1A2CYP3A4NPC1RAB9A
SCHEMBL4909130 0.80
SCHEMBL4489657 0.78 CYP2A6 (0.56) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL4590846 0.78 MAPK14 (0.35) MAPTNPC1RAB9AALDH1A1
SCHEMBL2412002 0.78 NOTUM (0.39) LMNANOTUMCYP1A2NPC1RAB9A
SCHEMBL4590966 0.78 ALDH1A1 (0.39) MAPTCYP1A2NPC1RAB9ACYP2C19
SCHEMBL2373066 0.78 ESR1 (0.40) MAPTLMNACYP3A4NPC1RAB9A
SCHEMBL7924571 0.78 IDO1 (0.38) MAPTLMNANOTUM
SCHEMBL2315785 0.75 CYP2A6 (0.47) CYP3A4NPC1CYP2C9CYP2C19PDGFRB
SCHEMBL5066564 0.74 CLK4 (0.48) MAPTLMNACYP1A2CYP3A4NPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050862-A1 STATINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 WO claimed
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
EP-3426648-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017037567-A1 REGULATORS OF FRATAXIN PFIZER INC. (US) 2017-03-09 WO disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
WO-2016203335-A1 NOVEL PYRIDO[2,3-B]PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed
WO-2006050862-A1 STATINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 WO disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
US-5334595-A Anticarcinogenic agents; cytolysis STERLING WINTHROP INC. (US) 1994-08-02 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 (6 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-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, VAT1, CMA1 MAPT 4682/4885LMNA 4570/4885NOTUM 49/4885
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS BRD4, BRD3, BET1 MAPT 1120/4885LMNA 2907/4885NOTUM 4315/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 MAPT 4719/4885LMNA 4540/4885NOTUM 54/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA MAPT 2582/4885LMNA 1871/4885NOTUM 312/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA MAPT 2582/4885LMNA 1871/4885NOTUM 312/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 MAPT 4698/4885LMNA 4494/4885NOTUM 79/4885

“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.