SCHEMBL13090239

SCHEMBL13090239

CNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)N/N=C(\C)c3csc(-c4ccc(Br)cc4)c3O)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL13090246 0.92 MEN1 (0.41) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL13090203 0.92 EPHX2 (0.36) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL15259115 0.91 VHL (0.39) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15936056 0.91 ALDH1A1 (0.36) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL8573319 0.91 ALDH1A1 (0.36) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL15936057 0.91 ALDH1A1 (0.36) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL13090241 0.91 EPHX2 (0.49) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL13090243 0.90 EPHX2 (0.39) SMN1; SMN2EPHX2NR1H4MAPT
SCHEMBL13090249 0.90 HDAC1 (0.45) KMT2AMEN1RAB9ANPC1CYP1A2
SCHEMBL15259138 0.90 ESRRG (0.35) KMT2AMEN1RAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 KMT2A 1350/4885MEN1 1760/4885RAB9A 2560/4885

“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.