SCHEMBL1422409

SCHEMBL1422409

Cc1cc(Cl)ccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
NTSR1 P30989 3/20 0.52
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 1/20 0.43
RXRA P19793 1/20 0.40
NPBWR1 P48145 1/20 0.40
PRMT1 Q99873 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1422411 1.00 FBP1 (0.53) FBP1ALDH1A1MAPTHPGDNTSR1
SCHEMBL2077056 0.82 FBP1 (0.56) FBP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2077055 0.82 FBP1 (0.56) FBP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11077530 0.82 FBP1 (0.56) FBP1ALDH1A1MAPTHPGDNTSR1
SCHEMBL11077527 0.82 FBP1 (0.56) FBP1ALDH1A1MAPTHPGDNTSR1
SCHEMBL1569549 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL20177880 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL1202362 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTHPGDNTSR1
SCHEMBL30259520 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL1202363 0.79 FBP1 (0.53) FBP1ALDH1A1MAPTHPGDNTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
EP-2826774-B1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC (US) 2016-05-25 EP disclosed
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2015-08-20 US disclosed
US-9096567-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2015-08-04 US disclosed
EP-2826774-A1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives Array Biopharma, Inc. (US) 2015-01-21 EP disclosed
EP-2307397-B1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2014-08-20 EP disclosed
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8716498-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA, INC. (US) 2014-05-06 US disclosed
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
US-8569522-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-10-29 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS BISSANTZ CATERINA (FR) 2012-08-16 US disclosed
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS BISSANTZ CATERINA (FR) 2012-08-16 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
EP-2297098-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153179-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 FBP1 4457/4885ALDH1A1 1125/4885MAPT 597/4885
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES HRH1, HRH2, HRH4 FBP1 3619/4885ALDH1A1 215/4885MAPT 2370/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 FBP1 3003/4885ALDH1A1 756/4885MAPT 4698/4885
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD74 FBP1 2671/4885ALDH1A1 783/4885MAPT 4791/4885
US-20140005418-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES UGT1A6, UGT2B7, UGT1A7 FBP1 247/4885ALDH1A1 67/4885MAPT 3206/4885
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 FBP1 4457/4885ALDH1A1 1125/4885MAPT 597/4885

“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.