SCHEMBL21963780

SCHEMBL21963780

O=C(O)NCCSCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL250873 0.77 PLAAT3 (0.58) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL18281767 0.76 L3MBTL1 (0.69) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL14672313 0.74 HSP90AA1 (0.58) ALDH1A1HPGDKMT2AMEN1RAB9A
SCHEMBL9342625 0.73 MEN1 (0.55) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL14702014 0.73 ALDH1A1 (0.72) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL12473135 0.73 MEN1 (0.72) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL23124836 0.72 L3MBTL1 (0.50) LMNAKMT2AMEN1CYP1A2CYP2D6
SCHEMBL26988416 0.72 PLAAT3 (0.54) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
SCHEMBL1694370 0.72 L3MBTL1 (0.62) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL16980130 0.72 MEN1 (0.55) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP 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 122/4885LMNA 455/4885HPGD 152/4885

“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.