SCHEMBL1233057

SCHEMBL1233057

O=C(CCCCC(=O)NCCc1c[nH]c2ccccc12)NO

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.83
▸ KMT2A Q03164 3/20 0.83
▸ MTNR1A P48039 2/20 0.78
▸ MMP9 P14780 1/20 0.68
▸ AANAT Q16613 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.65
▸ MAPT P10636 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ UBE2N P61088 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ GFER P55789 1/20 0.63
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ HDAC4 P56524 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61

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
SCHEMBL12672064 0.99 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL2808670 0.99 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL2440677 0.89 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL29926356 0.89 MTNR1A (0.98) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1726877 0.89 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL1233177 0.89 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL12315048 0.89 MEN1 (0.81) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL1305483 0.88 MEN1 (0.67) MEN1KMT2AMTNR1AMMP9ALDH1A1
SCHEMBL7677886 0.88 MEN1 (0.84) MEN1KMT2AMTNR1AMMP9AANAT
SCHEMBL8285348 0.88 MTNR1A (0.65) MEN1KMT2AMTNR1AMMP9AANAT

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 9 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-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
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 — — 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
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 — — US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 — — US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 — — US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 — — 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 (2 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
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 MEN1 4123/4885KMT2A 85/4885MTNR1A 903/4885

“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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