SCHEMBL436153

SCHEMBL436153

Cc1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
HPGD P15428 4/20 0.63
MAPT P10636 2/20 0.63
CYP1A2 P05177 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.51
NPBWR1 P48145 1/20 0.51
PIN1 Q13526 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL171627 0.86 KDM4E (0.60) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL3269719 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL1129034 0.81 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL10694441 0.80 KDM4E (0.65) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL9866412 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL1887466 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL27796465 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL16042060 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL521212 0.79 MAPT (0.97) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL30016904 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237480-B A kind of 2 trifluoro methyl benzimidazole compounds and preparation method thereof 三峡大学 2017-12-05 CN disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH ALDH1A1 461/4885KDM4E 3857/4885HPGD 224/4885

“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.