SCHEMBL18324770

SCHEMBL18324770

CS(=O)(=O)N1CC=C(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.71
HTR2A P28223 1/20 0.47
CCNT1 O60563 10/20 0.46
CDK9 P50750 10/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NFATC1 O95644 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL18324771 0.91 TDO2 (0.71) TDO2CCNT1CDK9KDM4ELMNA
SCHEMBL18324803 0.83 TDO2 (1.00) TDO2HTR2AKDM4ELMNAALOX15
SCHEMBL18324798 0.81 TDO2 (0.74) TDO2CCNT1CDK9KDM4ELMNA
SCHEMBL18324714 0.80 TDO2 (0.72) TDO2CCNT1CDK9KDM4ELMNA
SCHEMBL18324732 0.79 TDO2 (0.81) TDO2HTR2ACCNT1CDK9HTR1A
SCHEMBL18324727 0.79 TDO2 (0.67) TDO2CCNT1CDK9HTR1ASLC6A4
SCHEMBL16801801 0.79 HTR2A (0.47) TDO2HTR2AKDM4ELMNAALOX15
SCHEMBL18324719 0.79 TDO2 (0.74) TDO2SLC6A4
SCHEMBL14875491 0.78 HTR2A (0.48) HTR2AKDM4ELMNAALOX15POLB
SCHEMBL18324772 0.77 TDO2 (0.71) TDO2HTR1ASLC6A4HTR6

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 TDO2 1/4885HTR2A 511/4885CCNT1 2817/4885

“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.