SCHEMBL10044117

SCHEMBL10044117

Cc1ccccc1C1SCC(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.79
MAPT P10636 2/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2C9 P11712 1/20 0.79
ALOX15 P16050 1/20 0.79
TSHR P16473 1/20 0.79
CASP1 P29466 1/20 0.79
CYP2C19 P33261 1/20 0.79
RECQL P46063 1/20 0.79
SLC8B1 Q6J4K2 1/20 0.79
ATM Q13315 1/20 0.44
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 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
SCHEMBL869274 0.88 TP53 (1.00) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL31071906 0.88 TP53 (1.00) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL10929981 0.76 MAPT (0.77) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL10926019 0.74 MAPT (0.60) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL4371172 0.70 TP53 (0.55) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL4219649 0.68 MAOB (0.64) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL14146188 0.68 MAPT (0.39) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL15813798 0.68 MAPT (0.44) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL8117192 0.66 MAPT (0.60) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL28140469 0.65 SMN1; SMN2 (0.66) TP53MAPTCYP1A2CYP2C9ALOX15

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-8791079-B2 Methods for treating heart failure by inhibiting the mitochondrial sodium-calcium exchanger (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-29 US disclosed
US-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-29 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-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) SLC8B1, ATP2A1, ATP2A2 TP53 4002/4885MAPT 2869/4885CYP1A2 4245/4885

“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.