SCHEMBL13090243

SCHEMBL13090243

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
NR1H4 Q96RI1 1/20 0.39
LSS P48449 1/20 0.39
HDAC1 Q13547 6/20 0.38
KDM1A O60341 3/20 0.38
PPARA Q07869 8/20 0.38
HDAC3 O15379 3/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PPARG P37231 5/20 0.36
PPARD Q03181 2/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13090205 0.93 EPHX2 (0.40) EPHX2NR1H4LSSHDAC1KDM1A
SCHEMBL13090241 0.93 EPHX2 (0.49) EPHX2NR1H4HDAC3HDAC6
SCHEMBL15259119 0.93 HDAC1 (0.39) EPHX2LSSHDAC1KDM1APPARA
SCHEMBL13090248 0.91 EPHX2 (0.44) EPHX2NR1H4HDAC1PPARAHDAC3
SCHEMBL13090239 0.90 KMT2A (0.36) EPHX2NR1H4MAPTSMN1; SMN2
SCHEMBL13090246 0.90 MEN1 (0.41) EPHX2NR1H4KDM1APPARAPPARG
SCHEMBL8580703 0.89 HDAC1 (0.36) EPHX2LSSHDAC1KDM1APPARA
SCHEMBL13090249 0.89 HDAC1 (0.45) EPHX2NR1H4HDAC1KDM1AHDAC3
SCHEMBL13090175 0.88 HDAC1 (0.35) EPHX2LSSHDAC1KDM1APPARA
SCHEMBL8593315 0.87 LSS (0.36) EPHX2LSSHDAC1KDM1APPARA

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 EPHX2 3765/4885NR1H4 469/4885LSS 4379/4885

“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.