SCHEMBL438258

SCHEMBL438258

Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
MAPT P10636 5/20 0.62
PKM P14618 3/20 0.62
HTT P42858 2/20 0.62
MYC P01106 1/20 0.53
PLK1 P53350 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXRA P19793 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL437676 0.86 ALDH1A1 (0.67) ALDH1A1MAPTPKMHTTMYC
SCHEMBL10205950 0.84 PLK1 (0.54) ALDH1A1HTTPLK1LMNAMEN1
SCHEMBL14280204 0.84 MAPT (0.46) ALDH1A1MAPTPKMHTTMYC
SCHEMBL14280209 0.83 HTT (0.55) ALDH1A1MAPTPKMHTTPLK1
SCHEMBL438115 0.80 TDP1 (0.58) ALDH1A1MAPTPKMMYCPLK1
SCHEMBL435621 0.78 TP53 (0.52) ALDH1A1MAPTPKMHTTMYC
SCHEMBL12851588 0.78 TP53 (0.63) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL435644 0.78 RXRA (0.58) ALDH1A1MAPTPLK1SMN1; SMN2MEN1
SCHEMBL28147295 0.77 ALDH1A1 (0.78) ALDH1A1MAPTPKMHTTMYC
SCHEMBL437666 0.77 L3MBTL1 (0.49) ALDH1A1MAPTPLK1APEX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US claimed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US claimed
EP-2143708-B1 OLIGOANILINE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-04-06 EP disclosed
US-8956729-B2 Surface-treated metal material and process for producing the same NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) 2015-02-17 US disclosed
EP-1621582-B1 RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME KANEKA CORP (JP) 2012-10-31 EP disclosed
US-8298444-B2 Oligoaniline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-10-30 US disclosed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
EP-0457616-B1 Flame retardant coating compositions and coated articles SHINETSU CHEMICAL CO (JP) 1995-04-05 EP disclosed
EP-0308198-B1 Thermoplastic polymethacrylimide resin composition MITSUBISHI RAYON CO (JP) 1994-06-22 EP disclosed
US-5283279-A Polyorganosiloxane graft copolymer emulsion; when cured has sufficient extensibility to follow cracks in underlying surface SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0457616-A2 Flame retardant coating compositions and coated articles SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-4902742-A Thermoplastic polymethacrylimide resin composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-20 US disclosed
EP-0308198-A2 Thermoplastic polymethacrylimide resin composition MITSUBISHI RAYON CO., LTD. (JP) 1989-03-22 EP disclosed
US-4618656-A WATER OR MOISTURE CURED GLASTOMER HAVING IMPROVED TENSILE STRENGTH KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-10-21 US disclosed
US-4618653-A Novel polymer and cured product of the same KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-10-21 US disclosed
EP-0159715-A2 Novel polymer and cured product of the same Kanegafuchi Chemical Industry Co., Ltd. (JP) 1985-10-30 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 (1 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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B ALDH1A1 2759/4885MAPT 30/4885PKM 1366/4885

“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.