SCHEMBL22015280

SCHEMBL22015280

NCCS(=O)(=O)CCN1CCCN(c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 6/20 0.38
HSD17B10 Q99714 1/20 0.38
CHKA P35790 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RORC P51449 1/20 0.36
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HRH1 P35367 3/20 0.35
DRD3 P35462 3/20 0.35
TMEM97 Q5BJF2 3/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 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
SCHEMBL24209294 0.84 CYP2D6 (0.40) CYP2D6SIGMAR1HSD17B10CHKAALDH1A1
SCHEMBL24209206 0.80 HSD17B10 (0.46) KDM4ESIGMAR1HSD17B10ALDH1A1HTR1A
SCHEMBL22014826 0.79 CYP2D6 (0.62) CYP2D6SIGMAR1HTR1ADRD2HTR2A
SCHEMBL22779960 0.78 ALOX15 (0.33)
SCHEMBL24209224 0.73 ALDH1A1 (0.31) KDM4EALDH1A1RORC
SCHEMBL24208967 0.73 ALDH1A1 (0.31) KDM4EALDH1A1RORC
SCHEMBL22015103 0.73 ALDH1A1 (0.31) KDM4EALDH1A1RORC
SCHEMBL22015375 0.73 ALDH1A1 (0.31) KDM4EALDH1A1RORC
SCHEMBL4258572 0.71 MAPT (0.54) KDM4ESIGMAR1HSD17B10CHKAALDH1A1
SCHEMBL22015448 0.69 ALOX15 (0.41) CHKAHTR7

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 CYP2D6 133/4885KDM4E 849/4885SIGMAR1 1121/4885

“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.