SCHEMBL22015313

SCHEMBL22015313

NCCS(=O)(=O)CC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 7/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
GRM5 P41594 1/20 0.49

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
SCHEMBL28135156 0.81 MAPT (0.78) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL22014821 0.80 KDM4E (0.50) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL8245954 0.79 MAPT (0.70) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL24209212 0.78 MAPT (0.50) ALDH1A1MAPTKMT2AHPGD
SCHEMBL22014826 0.75 CYP2D6 (0.62) HTR1AHTR7KMT2A
SCHEMBL30528252 0.75 MAPT (0.86) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL24208969 0.75 POLB (0.48) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL22014791 0.74 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ALMNANPSR1
SCHEMBL24208950 0.74 CYP1A2 (0.39) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL7840682 0.74 MAPT (0.72) ALDH1A1NPC1RAB9AMAPTLMNA

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 ALDH1A1 122/4885NPC1 1690/4885RAB9A 3337/4885

“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.