SCHEMBL18324877

SCHEMBL18324877

CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
BRD4 O60885 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38
NEK7 Q8TDX7 1/20 0.38
ALK Q9UM73 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
LMNA P02545 3/20 0.37
LRRK2 Q5S007 1/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.86 ALDH1A1 (0.42) TP53MAPTPOLBNEK2FNTA
SCHEMBL18324872 0.85 KCNH2 (0.48) TP53MAPTPOLBFNTAFNTB
SCHEMBL18324880 0.83 KDM4E (0.47) BRD4LMNAALDH1A1
SCHEMBL18324883 0.82 ALDH1A1 (0.42) MAPTBRD4AURKAALKLRRK2
SCHEMBL16801501 0.79 TP53 (0.41) TP53MAPTPOLBNQO2BRD4
SCHEMBL18324779 0.78 TP53 (0.43) TP53ALDH1A1
SCHEMBL2675756 0.70 HTR1D (0.41) POLBBRD4KCNH2
SCHEMBL20016358 0.69 TP53 (0.38) TP53MAPTPOLBKCNH2ALDH1A1
SCHEMBL11021673 0.68 PGR (0.44) TP53MAPTPOLBNQO2LMNA
SCHEMBL3519770 0.67 PGR (0.53) TP53MAPTPOLBNQO2BRD4

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 3 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-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 TP53 4206/4885MAPT 2964/4885POLB 3990/4885

“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.