SCHEMBL1158337

SCHEMBL1158337

Cc1c(N)nc(S)nc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
HCAR2 Q8TDS4 3/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10773190 0.79 ALDH1A1 (0.34) ALDH1A1HCAR2MAPTSMN1; SMN2PIN1
SCHEMBL12257177 0.78 TDP1 (0.36) TDP1ALDH1A1GABRPGABRDGABRA1
SCHEMBL10778377 0.77 TDP1 (0.34) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL10776057 0.76 GABRP (0.40) TDP1ALDH1A1GABRPGABRDGABRA1
SCHEMBL10776010 0.74 GABRP (0.33) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL7522506 0.74 LMNA (0.38) ALDH1A1
SCHEMBL10776549 0.73 TDP1 (0.33) TDP1ALDH1A1GABRPGABRDGABRA1
SCHEMBL13509197 0.72 PDE10A (0.54) HCAR2
SCHEMBL11795741 0.72 DGAT1 (0.32) TDP1ALDH1A1
SCHEMBL11010167 0.71 HSD17B10 (0.38) HCAR2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4689328-A CARBOXY-PYRIMIDINE DERIVATIVES RESEARCH CORPORATION (US) 1987-08-25 US claimed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-7888417-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2011-02-15 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
EP-2038250-A2 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE AERIE PHARMACEUTICALS, INC. (US) 2009-03-25 EP disclosed
US-20080261722-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-10-23 US disclosed
US-20080227567-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-09-18 US disclosed
US-20080176678-A1 Compositions for Use in Golf Balls ACUSHNET COMPANY 2008-07-24 US disclosed
US-7361711-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-22 US disclosed
US-20060281586-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060281587-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO disclosed
US-20050245652-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-20050245657-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-5073641-A PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1991-12-17 US disclosed
EP-0278977-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS. BUNDGAARD HANS (DK) 1988-08-24 EP disclosed
WO-1988001615-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1988-03-10 WO disclosed
US-4689328-A CARBOXY-PYRIMIDINE DERIVATIVES RESEARCH CORPORATION (US) 1987-08-25 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 (3 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-20060135609-A1 Ophthamological drugs QDPR, PTGIR, PDE6C TDP1 2653/4885ALDH1A1 822/4885GABRP 2989/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C TDP1 2452/4885ALDH1A1 711/4885GABRP 2870/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS TDP1 3982/4885ALDH1A1 102/4885GABRP 130/4885

“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.