SCHEMBL2530971

SCHEMBL2530971

Cc1ccccc1CSc1nnnn1-c1cccc(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 15/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TSHR P16473 6/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
ADRB2 P07550 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7924131 0.82 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL7935215 0.81 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL12225960 0.79 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL1493401 0.78 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL12225978 0.76 KMT2A (0.61) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL1493466 0.74 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL23009199 0.74 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL2538104 0.72 MEN1 (0.58) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL7936741 0.70 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRNPSR1HTT
SCHEMBL28299784 0.70 ALDH1A1 (0.79) KMT2AMEN1ALDH1A1L3MBTL1TSHR

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
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 KMT2A 4508/4885MEN1 3317/4885ALDH1A1 4357/4885

“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.