SCHEMBL404929

SCHEMBL404929

CCOC(=O)Nc1ccc(C)cc1I

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.71
NLRP3 Q96P20 1/20 0.54
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.49
MAOB P27338 1/20 0.46
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
RECQL P46063 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6287677 0.87 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL2070682 0.86 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL4826498 0.83 MAPT (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL4820272 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL12407193 0.83 SMN1; SMN2 (1.00) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL463622 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL2090928 0.81 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL4818327 0.81 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3
SCHEMBL2073096 0.81 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL12407109 0.80 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2NLRP3

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CYP1A2 2609/4885CYP2C9 2484/4885CYP2C19 1732/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CYP1A2 2609/4885CYP2C9 2484/4885CYP2C19 1732/4885

“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.