SCHEMBL2134085

SCHEMBL2134085

CN(C)c1nc(Cl)ccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLP1R P43220 1/20 0.35
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
MAT2A P31153 2/20 0.33
HIF1A Q16665 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32

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
SCHEMBL23725293 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL1602516 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAACYP3A4CYP2C19
SCHEMBL29955480 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAACYP3A4CYP2C19
SCHEMBL1473840 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EGAACYP3A4CYP2C19
SCHEMBL844587 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL30492852 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2
SCHEMBL30989202 0.73 PAX8 (0.39) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1119415 0.73 ALDH1A1 (0.32) ALDH1A1KDM4EGAACYP3A4CYP2C19
SCHEMBL2132356 0.73 KDM4E (0.45) ALDH1A1KDM4EGAA
SCHEMBL15228299 0.71 ERN1 (0.41) ALDH1A1KDM4ECYP3A4CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
CN-102325767-A 7-phenoxy chroman carboxylic acid derivative ARRAY BIOPHARMA INC 2012-01-18 CN disclosed
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 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 (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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 ALDH1A1 840/4885KDM4E 1406/4885GAA 4302/4885

“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.