SCHEMBL13928108

SCHEMBL13928108

O=C(CCCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc2ncccc2c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 1.00
▸ HDAC4 P56524 5/20 0.57
▸ MEF2D Q14814 3/20 0.57
▸ PABPC1 P11940 1/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC3 O15379 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL13159656 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DPABPC1HDAC6
SCHEMBL13928109 0.92 HDAC1 (0.85) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL8311632 0.92 HDAC1 (0.85) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL3427205 0.92 HDAC1 (0.84) HDAC1HDAC4MEF2DPABPC1HDAC6
SCHEMBL13159689 0.88 HDAC1 (0.80) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL13928110 0.88 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL8312518 0.88 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL8094598 0.87 HDAC1 (0.76) HDAC1HDAC4PABPC1HDAC6HDAC3
SCHEMBL13159659 0.86 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC3
SCHEMBL8344769 0.86 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054720-A1 Use of histone deacetylase inhibitors in combination with radiation for the treatment of cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 — — US disclosed
US-20090054720-A1 Use of histone deacetylase inhibitors in combination with radiation for the treatment of cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 — — US disclosed
US-7199134-B2 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-04-03 — — 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-20090054720-A1 Use of histone deacetylase inhibitors in combination with radiation for the treatment of cancer HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC4 4/4885MEF2D 1859/4885

“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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