SCHEMBL22014827

SCHEMBL22014827

NCCS(=O)(=O)CC(=O)N1C[C@@H]2CN(c3ccc(Cl)cc3)C[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MDM2 Q00987 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GFER P55789 1/20 0.37
NOTUM Q6P988 1/20 0.36
CHRM1 P11229 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36

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
SCHEMBL22014825 0.88 SMN1; SMN2 (0.38) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL22014833 0.88 RAB9A (0.40) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL22014820 0.83 ACACB (0.40) SMN1; SMN2MAPT
SCHEMBL24209482 0.80 MEN1 (0.36) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL24209174 0.78 SMN1; SMN2 (0.38) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL22014834 0.76 KMT2A (0.30) KMT2A
SCHEMBL22014822 0.73 NPC1 (0.48) KMT2ALMNAMDM2ALDH1A1
SCHEMBL22015313 0.70 ALDH1A1 (0.59) KMT2ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL22014824 0.67 CHRM1 (0.36) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL24209508 0.66 GAA (0.42) KMT2AMEN1SMN1; SMN2MAPTLMNA

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 KMT2A 2212/4885MEN1 3915/4885SMN1; SMN2 3271/4885

“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.