SCHEMBL5480939

SCHEMBL5480939

NC(=O)Nc1ccn[c]c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
CYP1A2 P05177 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
PEPD P12955 1/20 0.33
IKBKB O14920 1/20 0.33
NR3C2 P08235 2/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL2067008 0.82 KDM4E (0.40) NPC1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5484407 0.79 ALDH1A1 (0.40) NPC1GAAKDM4EMAPTGFER
SCHEMBL5478104 0.78 TSHR (0.45) MAPTALDH1A1HTT
SCHEMBL5480936 0.75 NPC1 (0.40) NPC1CYP1A2GAAKDM4EMAPT
SCHEMBL2068915 0.71
SCHEMBL5487336 0.69 CYP1A2 (0.46) NPC1CYP1A2GAAKDM4EMAPT
SCHEMBL9450013 0.68 KIF11 (0.37) NPC1MAPTPEPDNR3C2CYP3A4
SCHEMBL5484403 0.68 ALDH1A1 (0.40) NPC1PEPDNR3C2CYP3A4ALDH1A1
SCHEMBL2069881 0.68 PTGS1 (0.44) HTT
SCHEMBL9413722 0.67 KDM4C (0.46) NPC1GAAKDM4EHDAC3HDAC1

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 NPC1 2452/4885CYP1A2 241/4885GAA 842/4885

“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.