SCHEMBL12225970

SCHEMBL12225970

COc1ccc(C)cc1-n1cnnc1SCc1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX12 P18054 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL7933213 0.82 ALDH1A1 (0.59) ALDH1A1ALOX15ATMHSD17B10KMT2A
SCHEMBL12226000 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL4073579 0.67 SMN1; SMN2 (0.47) ALDH1A1ALOX15ATMHSD17B10KMT2A
SCHEMBL7932695 0.66 ALDH1A1 (0.62) ALDH1A1ATMHSD17B10KMT2AMEN1
SCHEMBL4205386 0.66 ALDH1A1 (0.49) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL4201184 0.66 SMN1; SMN2 (0.54) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL7934631 0.65 ALDH1A1 (0.60) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL4206007 0.65 SMN1; SMN2 (0.48) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL4215710 0.65 CNR2 (0.47) ALDH1A1ALOX15ATMHSD17B10THRB
SCHEMBL13462071 0.65 SMN1; SMN2 (0.59) ALDH1A1ALOX15ATMHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, 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 (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-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE SARAF, CACNA1I, ORAI1 ALDH1A1 4357/4885ALOX15 1429/4885ATM 4057/4885

“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.