SCHEMBL5487334

SCHEMBL5487334

NC(=O)Nc1[c]cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
PEPD P12955 1/20 0.34
LMNA P02545 1/20 0.34
IKBKB O14920 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL5487260 0.81 HSP90AA1 (0.41) CYP1A2KDM4EALDH1A1MAPTLMNA
SCHEMBL9437090 0.78 POLB (0.42) CYP1A2NPC1KDM4EALDH1A1GAA
SCHEMBL5479979 0.78 ALDH1A1 (0.41) NPC1KDM4EALDH1A1GAAMAPT
SCHEMBL5487336 0.74 CYP1A2 (0.46) CYP1A2NPC1KDM4EALDH1A1GAA
SCHEMBL19065135 0.74 BCAT2 (0.44) CYP1A2ALDH1A1GAAMAPTGFER
SCHEMBL6611507 0.71 ALDH1A1 (0.34) ALDH1A1MAPTPOLB
SCHEMBL5994908 0.71 POLB (0.41) NPC1ALDH1A1GAAMAPTGFER
SCHEMBL2175829 0.70 CYP1A2 (0.75) CYP1A2NPC1KDM4EALDH1A1GAA
SCHEMBL29537172 0.70 CYP1A2 (0.75) CYP1A2NPC1KDM4EALDH1A1GAA
SCHEMBL1439894 0.70 TYK2 (0.52) CYP1A2NPC1KDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD CYP1A2 241/4885NPC1 2452/4885KDM4E 1682/4885

“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.