SCHEMBL2533708

SCHEMBL2533708

COc1cccc(CSc2nnnn2-c2ccc(C)cc2C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 12/20 0.56
LMNA P02545 9/20 0.56
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
USP2 O75604 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
GALR3 O60755 1/20 0.49
PKM P14618 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL2534486 0.81 ALDH1A1 (0.64) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL7934295 0.73 ALDH1A1 (0.61) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL7936398 0.72 LMNA (0.53) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL1611721 0.71 LMNA (0.76) ALDH1A1LMNATSHRSMN1; SMN2USP2
SCHEMBL7936741 0.70 ALDH1A1 (0.54) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL7932484 0.70 ALDH1A1 (0.71) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL7924284 0.69 ALDH1A1 (0.57) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL28497827 0.69 MAOB (0.51) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL19248206 0.68 LMNA (0.71) ALDH1A1LMNATSHRSMN1; SMN2USP2
SCHEMBL12225960 0.67 ALDH1A1 (0.65) MAPTALDH1A1LMNATSHRTDP1

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 4 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

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 MAPT 622/4885ALDH1A1 4357/4885LMNA 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.