SCHEMBL7190691

SCHEMBL7190691

O=C=Nc1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
TRIM24 O15164 2/20 0.41
TRIM33 Q9UPN9 2/20 0.41
TRPA1 O75762 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Water SCHEMBL27519980 0.98 TDP1 (0.48) TDP1LMNAKMT2AMEN1THRB
SCHEMBL5551100 0.84 CYP3A4 (0.50) TDP1LMNAKMT2AMEN1THRB
SCHEMBL10890112 0.84 CYP3A4 (0.50) TDP1LMNAKMT2AMEN1THRB
SCHEMBL31168163 0.84 CYP3A4 (0.50) TDP1LMNAKMT2AMEN1THRB
SCHEMBL3099538 0.84 CYP3A4 (0.50) TDP1LMNAKMT2AMEN1THRB
SCHEMBL2183885 0.81 CYP3A4 (0.47) TDP1LMNAKMT2AMEN1THRB
SCHEMBL465790 0.81 CYP3A4 (0.47) TDP1LMNAKMT2AMEN1THRB
SCHEMBL3591773 0.81 CYP3A4 (0.52) TDP1LMNAKMT2AMEN1THRB
SCHEMBL15528637 0.81 CYP3A4 (0.47) TDP1LMNAKMT2AMEN1THRB
SCHEMBL7185453 0.81 LMNA (0.48) TDP1LMNAKMT2AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-106543131-B The PI3K/Akt signal pathway inhibitors S14161 and its preparation method and application of 18F labels 山东大学齐鲁医院 2018-07-24 CN disclosed
CN-106543131-A PI3K/Akt signal pathway inhibitor S14161 of 18F labellings and its preparation method and application 山东大学齐鲁医院 2017-03-29 CN disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
CN-1624946-A Optical semiconductor device NITTO DENKO CORP (JP) 2005-06-08 CN disclosed
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 TDP1 1431/4885LMNA 3577/4885KMT2A 3608/4885
US-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 TDP1 3063/4885LMNA 4522/4885KMT2A 3439/4885

“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.