SCHEMBL2534486

SCHEMBL2534486

COc1ccc(CSc2nnnn2-c2ccc(C)cc2C)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 8/20 0.57
TSHR P16473 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
GALR3 O60755 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
USP2 O75604 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL2533708 0.81 MAPT (0.64) ALDH1A1LMNATSHRSMN1; SMN2RAB9A
SCHEMBL7932689 0.75 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL7934295 0.74 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL1493602 0.70 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL7936398 0.70 LMNA (0.53) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL7924284 0.70 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL7932695 0.69 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL1611721 0.69 LMNA (0.76) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL7924136 0.69 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL1493465 0.68 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2

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 5 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
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
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 4357/4885L3MBTL1 3174/4885LMNA 1885/4885

“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.