SCHEMBL22015286

SCHEMBL22015286

CCOc1ccc(N2C[C@H]3CN(CCCS(=O)(=O)CCN)CC2C(C)(C)C3)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL22015450 1.00 ALDH1A1 (0.32) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL21963805 1.00 ALDH1A1 (0.32) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL24209047 0.94 TP53 (0.33) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL22015438 0.94 TP53 (0.33) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL22014794 0.94 TP53 (0.33) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL22014798 0.81 MEN1 (0.33) ALDH1A1TP53SMN1; SMN2MAPTPTGS2
SCHEMBL24209291 0.81 MEN1 (0.33) ALDH1A1TP53SMN1; SMN2MAPTPTGS2
SCHEMBL22015449 0.81 MEN1 (0.33) ALDH1A1TP53SMN1; SMN2MAPTPTGS2
SCHEMBL24209061 0.81 KMT2A (0.35) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL24209087 0.81 KMT2A (0.35) ALDH1A1MAPTLMNAGAAKMT2A

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 122/4885TP53 2406/4885NPC1 1690/4885

“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.