SCHEMBL7934631

SCHEMBL7934631

Cc1cccc(-n2nnnc2SCc2ccccc2C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 1/20 0.56
ATM Q13315 1/20 0.56
TSHR P16473 4/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL7924146 0.83 ALDH1A1 (0.63) ALDH1A1TDP1HSD17B10ATMTSHR
SCHEMBL7933213 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX15ATMTSHR
SCHEMBL12226000 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX15ATMTSHR
SCHEMBL17708397 0.73 ALDH1A1 (0.60) ALDH1A1TDP1HSD17B10TSHRLMNA
SCHEMBL15337450 0.72 SMN1; SMN2 (0.70) ALDH1A1TDP1HSD17B10TSHRLMNA
SCHEMBL14606116 0.72 ALDH1A1 (0.60) ALDH1A1TDP1HSD17B10TSHRLMNA
SCHEMBL1612844 0.72 POLB (0.73) ALDH1A1TDP1HSD17B10TSHRLMNA
SCHEMBL12225963 0.71 KMT2A (0.65) ALDH1A1TDP1TSHRLMNAHPGD
SCHEMBL28431693 0.71 ALDH1A1 (0.60) ALDH1A1TDP1HSD17B10TSHRLMNA
SCHEMBL18292512 0.70 LMNA (1.00) ALDH1A1TDP1HSD17B10ALOX15TSHR

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 3 patents. 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
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2011-10-20 US disclosed
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO 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 4357/4885TDP1 1313/4885HSD17B10 2528/4885

“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.