SCHEMBL9932550

SCHEMBL9932550

CCc1ccccc1Nc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
MAPT P10636 4/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS1 P23219 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1548694 0.89 ALDH1A1 (0.54) PTGS2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL16480270 0.84 PTGS2 (0.68) PTGS2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL18944529 0.84 MAPT (0.45) PTGS2MAPTHTTALDH1A1GAA
SCHEMBL11636082 0.83 SMN1; SMN2 (0.50) PTGS2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL6280428 0.82 PTGS2 (0.74) PTGS2MAPTHTTALDH1A1GAA
SCHEMBL29511793 0.82 HTT (0.59) PTGS2MAPTHTTALDH1A1GAA
SCHEMBL183017 0.82 HTT (0.59) PTGS2MAPTHTTALDH1A1GAA
SCHEMBL28227625 0.82 HTT (0.47) PTGS2MAPTHTTALDH1A1RAB9A
SCHEMBL5321487 0.81 PTGS2 (0.44) PTGS2MAPTHTTALDH1A1GAA
SCHEMBL7166134 0.80 PTGS2 (0.77) PTGS2PTGS1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9515268-B2 Aromatic amine derivatives and preparation method, uses and organic electroluminescent devices thereof BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-12-06 US disclosed
US-9515268-B2 Aromatic amine derivatives and preparation method, uses and organic electroluminescent devices thereof BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-12-06 US disclosed
US-9515268-B2 Aromatic amine derivatives and preparation method, uses and organic electroluminescent devices thereof BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-12-06 US disclosed
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 EP disclosed
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-20160087221-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD, USES AND ORGANIC ELECTROLUMINESCENT DEVICES THEREOF BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-03-24 US disclosed
US-20160087221-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD, USES AND ORGANIC ELECTROLUMINESCENT DEVICES THEREOF BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-03-24 US disclosed
US-20160087221-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD, USES AND ORGANIC ELECTROLUMINESCENT DEVICES THEREOF BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-03-24 US disclosed
CN-103992335-B Aromatic amine derivative, and preparation method, use and organic electroluminescent device thereof BOE TECHNOLOGY GROUP CO LTD 2015-04-08 CN disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US disclosed
CN-103992335-A Aromatic amine derivative, and preparation method, use and organic electroluminescent device thereof BOE TECHNOLOGY GROUP CO LTD 2014-08-20 CN disclosed
US-20140206863-A1 Copper Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts DOW CORNING CORPORATION 2014-07-24 US disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 US disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 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 (4 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 PTGS2 3110/4885MAPT 693/4885HTT 1053/4885
US-20160087221-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD, USES AND ORGANIC ELECTROLUMINESCENT DEVICES THEREOF C1S, C5, C9 PTGS2 3409/4885MAPT 2759/4885HTT 2248/4885
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 PTGS2 3410/4885MAPT 1569/4885HTT 259/4885
US-20140206863-A1 Copper Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts SOD1, COPE, MMS19 PTGS2 802/4885MAPT 1708/4885HTT 463/4885

“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.