SCHEMBL18324880

SCHEMBL18324880

CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
EPHX2 P34913 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.45
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.41
F12 P00748 2/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
BRD4 O60885 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2D6 P10635 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL18324786 0.84 ALDH1A1 (0.42) F12ALDH1A1
SCHEMBL18324877 0.83 TP53 (0.39) LMNAALDH1A1BRD4
SCHEMBL18324872 0.83 KCNH2 (0.48) IDO1ALDH1A1
SCHEMBL18324883 0.80 ALDH1A1 (0.42) KDM4EALDH1A1BRD4CYP11B1CYP11B2
SCHEMBL18324779 0.78 TP53 (0.43) KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL6644248 0.69 KMT2A (0.50) KMT2AMEN1IDO1ALDH1A1
SCHEMBL2675756 0.69 HTR1D (0.41) KDM4EKMT2ABRD4
SCHEMBL18324821 0.68 IDO1 (0.49) EPHX2KMT2AIDO1LMNACYP2D6
SCHEMBL18324818 0.68 KCNH2 (0.49) KDM4EEPHX2KMT2AIDO1LMNA
SCHEMBL24304143 0.68 KMT2A (0.58) KDM4EEPHX2KMT2AMEN1IDO1

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-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 KDM4E 465/4885EPHX2 1930/4885KMT2A 2433/4885

“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.