SCHEMBL9920141

SCHEMBL9920141

CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2N2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.79
ALDH1A1 P00352 6/20 0.79
MAPT P10636 6/20 0.79
HPGD P15428 1/20 0.69
POLB P06746 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTT P42858 4/20 0.60
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 1/20 0.55
PAX8 Q06710 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL834704 0.89 ALDH1A1 (0.65) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL833585 0.78 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL9920137 0.77 MAPT (0.59) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL13469924 0.75 ALDH1A1 (0.66) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL9923329 0.73 LMNA (0.54) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL834562 0.73 LMNA (0.57) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL5115562 0.72 KDM4E (0.63) KDM4EALDH1A1MAPTPOLBHTT
SCHEMBL23200304 0.70 KMT2A (0.67) KDM4EALDH1A1MAPTPOLBHTT
SCHEMBL17175831 0.68 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL17779274 0.68 MAPT (0.80) KDM4EALDH1A1MAPTHPGDPOLB

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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 US disclosed
US-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 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 (2 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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 KDM4E 4123/4885ALDH1A1 4125/4885MAPT 1453/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 KDM4E 4123/4885ALDH1A1 4125/4885MAPT 1453/4885

“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.