SCHEMBL974931

SCHEMBL974931

COC(=O)c1cc(-c2cccc(N3CCc4ccccc43)c2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 7/20 0.49
▸ SMPD1 P17405 1/20 0.48
▸ FAAH O00519 2/20 0.47
▸ RXRA P19793 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ RPA1 P27694 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ SLC16A3 O15427 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41

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
SCHEMBL974906 0.89 MARS1 (0.50) MARS1SMPD1FAAHRPA1CNR1
SCHEMBL9418677 0.81 MARS1 (0.72) MARS1SMPD1FAAHRXRANR1H2
SCHEMBL2982610 0.77 RPA1 (0.73) MARS1SMPD1RPA1CNR1SMN1; SMN2
SCHEMBL31130516 0.76 SLC16A3 (0.64) MARS1SMPD1FAAHRPA1CNR1
SCHEMBL29419072 0.74 RXRA (0.62) MARS1SMPD1RXRANR1H2NR1H3
SCHEMBL341019 0.74 RXRA (0.62) MARS1SMPD1RXRANR1H2NR1H3
SCHEMBL9418696 0.72 MARS1 (0.59) MARS1SMPD1RXRANR1H2NR1H3
SCHEMBL29419099 0.70 MARS1 (0.68) MARS1SMPD1FAAHRPA1LMNA
SCHEMBL342100 0.70 MARS1 (0.68) MARS1SMPD1FAAHRPA1LMNA
SCHEMBL31130515 0.70 SLC16A3 (0.63) FAAHRXRANR1H2NR1H3MGLL

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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MARS1 1832/4885SMPD1 1060/4885FAAH 932/4885

“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.

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