SCHEMBL8580703

SCHEMBL8580703

C/C(=N\NC(=O)c1ccc(C(=O)NCc2ccc(CC(N)=O)cc2)s1)c1csc(-c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PPARA Q07869 9/20 0.35
LSS P48449 1/20 0.35
CHRM4 P08173 1/20 0.34
MCHR1 Q99705 1/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
KDM1A O60341 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL8611395 0.93 EPHX2 (0.39) HDAC3HDAC6EPHX2
SCHEMBL13090205 0.92 EPHX2 (0.40) HDAC1HDAC3HDAC4HDAC6PPARA
SCHEMBL15259119 0.92 HDAC1 (0.39) HDAC1HDAC3HDAC4HDAC6PPARA
SCHEMBL8577061 0.90 HDAC3 (0.41) HDAC1HDAC3HDAC4HDAC6PPARA
SCHEMBL13090243 0.89 EPHX2 (0.39) HDAC1HDAC3HDAC4HDAC6PPARA
SCHEMBL8612322 0.89 KMT2A (0.35) HDAC1HDAC3HDAC4HDAC6CHRM4
SCHEMBL8578519 0.89 MEN1 (0.39)
SCHEMBL13090175 0.89 HDAC1 (0.35) HDAC1HDAC3HDAC4HDAC6PPARA
SCHEMBL8578536 0.88 HDAC3 (0.45) HDAC1HDAC3HDAC4HDAC6CHRM4
SCHEMBL13090215 0.86 F10 (0.46) HDAC1HDAC3HDAC4HDAC6

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-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 HDAC1 135/4885HDAC3 116/4885HDAC4 288/4885

“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.