SCHEMBL6004780

SCHEMBL6004780

CCOC(=O)Nc1ccc(C=O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.48
EGFR P00533 2/20 0.46
KDR P35968 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NLRP3 Q96P20 2/20 0.45
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6005086 0.85 SMN1; SMN2 (0.69) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6004303 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6005103 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5972657 0.82 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6333143 0.82 MAPT (0.63) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6005453 0.82 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL29956922 0.81 NPC1 (0.52) SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2072406 0.81 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL3787254 0.81 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL19944782 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 CYP1A2 9/4885CYP2C9 12/4885CYP2C19 11/4885

“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.