SCHEMBL15701699

SCHEMBL15701699

CCCCN(Cc1ccc(Cl)c(Cl)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 10/20 0.44
PNMT P11086 1/20 0.44
PYCR1 P32322 1/20 0.42
IDO1 P14902 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR3 P49682 2/20 0.39

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
SCHEMBL4636336 0.86 CYP1A2 (0.52) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15701698 0.86 SIGMAR1 (0.52) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL11120749 0.83 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15701708 0.82 KCNH2 (0.47) SLC6A2SLC6A3KCNH2MAPT
SCHEMBL15701707 0.80 TSHR (0.50) PNMTPYCR1TSHRALDH1A1
SCHEMBL14149703 0.79 SIGMAR1 (0.59) CYP1A2CYP2C19SIGMAR1PYCR1TSHR
SCHEMBL16256949 0.78 SIGMAR1 (0.53) KCNH2SIGMAR1TSHRMAPT
SCHEMBL23961651 0.77 CYP1A2 (0.43) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15701722 0.77 BCHE (0.58) CYP1A2SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL14024617 0.75 SIGMAR1 (0.54) CYP1A2CYP2C19CYP2D6CYP2C9SLC6A2

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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 (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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 CYP1A2 4423/4885CYP2C19 4265/4885CYP3A4 4507/4885

“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.