SCHEMBL2293312

SCHEMBL2293312

BrCc1cc(CSc2ccccc2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2293428 0.75 NPC1 (0.31) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2293789 0.75 ALDH1A1 (0.42) SLC6A4ALDH1A1MAPTHTTCYP3A4
SCHEMBL28104579 0.74 MAPT (0.46) ALDH1A1MAPTHTTCYP3A4HPGD
SCHEMBL27672757 0.73 TSHR (0.36) ALDH1A1CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL10055053 0.73 ALDH1A1 (0.57) SLC6A4ALDH1A1MAPTHTTHPGD
SCHEMBL28346293 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL16143105 0.72 HTT (0.54) SLC6A4MAPTHTTHPGDMEN1
SCHEMBL27350496 0.71 ALDH1A1 (0.58) SLC6A4ALDH1A1HSD17B10KDM4EMEN1
Cyanide SCHEMBL28319714 0.70 PIEZO1 (0.40) ALDH1A1MAPTHTTCYP3A4CYP1A2
SCHEMBL9009753 0.69 CYP1A2 (0.50) SLC6A4ALDH1A1CYP3A4HPGDCYP1A2

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 SLC6A4 1544/4885ALDH1A1 83/4885MAPT 3284/4885

“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.