SCHEMBL29315637

SCHEMBL29315637

Nn1c(S)nnc1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PTGS1 P23219 1/20 0.40
ESR1 P03372 3/20 0.37
ESR2 Q92731 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 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
SCHEMBL1065240 0.82 HPGD (0.47) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16675457 0.81 KMT2A (0.45) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19328339 0.81 KMT2A (0.45) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL4349728 0.81 KMT2A (0.45) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3352182 0.80 KMT2A (0.72) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1164883 0.78 KMT2A (0.47) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6402595 0.77 ALDH1A1 (0.59) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13828022 0.77 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTPTGS1
SCHEMBL28999622 0.77 TP53 (0.51) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3988594 0.77 KMT2A (0.41) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-18 US 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-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER BRIX1, TP53, XPOT KMT2A 2367/4885ALDH1A1 1975/4885NPC1 2189/4885

“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.