SCHEMBL1974985

SCHEMBL1974985

COc1cc(C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C=Cc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 3/20 0.50
CYP19A1 P11511 2/20 0.50
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL1974982 1.00 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAACYP19A1
SCHEMBL12555929 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAHSD17B10
SCHEMBL4259143 0.85 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAGAAHSD17B10
SCHEMBL4259141 0.85 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAGAAHSD17B10
Rizedisben SCHEMBL12555821 0.83 CYP19A1 (0.46) ALDH1A1KDM4ELMNAGAACYP19A1
Rizedisben SCHEMBL1972916 0.82 CYP19A1 (0.45) ALDH1A1KDM4ELMNAGAACYP19A1
SCHEMBL4265463 0.81 KDM4E (0.54) ALDH1A1KDM4ELMNAGAACYP19A1
SCHEMBL15483213 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL1986772 0.80 CYP2C9 (0.53) ALDH1A1KDM4EGAAUSP2MAPT
SCHEMBL2637738 0.79 CYP19A1 (0.62) CYP19A1MAPTCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658129-B2 Agents and methods for the imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2014-02-25 US disclosed
US-20110142759-A1 AGENTS AND METHODS FOR THE IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2011-06-16 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 (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-20110142759-A1 AGENTS AND METHODS FOR THE IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 ALDH1A1 4733/4885KDM4E 3161/4885LMNA 472/4885

“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.