SCHEMBL18324883

SCHEMBL18324883

CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(C#N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALK Q9UM73 5/20 0.40
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL20340154 0.85 GSK3B (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2ALK
SCHEMBL18324786 0.83 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1TSHR
SCHEMBL18324872 0.82 KCNH2 (0.48) ALDH1A1MAPTSMN1; SMN2
SCHEMBL18324877 0.82 TP53 (0.39) ALDH1A1MAPTALKAURKALRRK2
SCHEMBL16801711 0.81 GSK3B (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2ALK
SCHEMBL18324880 0.80 KDM4E (0.47) ALDH1A1KDM4EBRD4CYP11B1CYP11B2
SCHEMBL18324779 0.75 TP53 (0.43) ALDH1A1KDM4ECYP11B1CYP11B2NPY5R
SCHEMBL6641768 0.68 GSK3B (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2ALK
SCHEMBL2675756 0.68 HTR1D (0.41) KDM4EBRD4
SCHEMBL18324775 0.67 SLC6A4 (0.57)

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 ALDH1A1 3981/4885KDM4E 465/4885MAPT 2964/4885

“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.