SCHEMBL2287342

SCHEMBL2287342

Cc1cc(C(C)(C)N)cc(COc2c(C)cccc2C)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.37
LMNA P02545 3/20 0.37
CYP2D6 P10635 3/20 0.37
SCN8A Q9UQD0 3/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
NFKB1 P19838 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
KCNK3 O14649 1/20 0.37
CACNA1F O60840 1/20 0.37
KCNK2 O95069 1/20 0.37
GBA1 P04062 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL2291322 0.80 THRA (0.41) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2295181 0.79 SCN2A (0.39) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2291408 0.77 SCN8A (0.40) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2289740 0.76 SCN8A (0.36) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2291848 0.75 THRA (0.38) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2295209 0.73 ALDH1A1 (0.38) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2287346 0.73 HRH3 (0.38) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2292619 0.72 PTPN1 (0.44) LMNACYP3A4ALDH1A1POLBTHRA
SCHEMBL2287236 0.72 GABRA1 (0.44) SCN4ALMNACYP2D6SCN8ASCN1A
SCHEMBL2289720 0.71 THRA (0.35) SCN4ALMNACYP2D6SCN8ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 SCN4A 521/4885LMNA 1225/4885CYP2D6 445/4885

“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.