SCHEMBL1233177

SCHEMBL1233177

NC(=O)CCCCCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.81
▸ KMT2A Q03164 3/20 0.81
▸ MTNR1A P48039 4/20 0.80
▸ AANAT Q16613 1/20 0.67
▸ MAPT P10636 2/20 0.66
▸ UBE2N P61088 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ GFER P55789 1/20 0.62
▸ TRPV1 Q8NER1 3/20 0.61
▸ MTNR1B P49286 2/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL2808670 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1726877 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL12672064 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1725354 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1726502 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1726070 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1066221 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL22411433 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL3806536 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1063483 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT

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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 — — US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 — — 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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 MEN1 2598/4885KMT2A 115/4885MTNR1A 2513/4885

“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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