SCHEMBL12850475

SCHEMBL12850475

Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 1.00
▸ HDAC6 Q9UBN7 15/20 1.00
▸ HDAC2 Q92769 9/20 0.68
▸ HDAC8 Q9BY41 9/20 0.68
▸ HDAC10 Q969S8 9/20 0.68
▸ HDAC9 Q9UKV0 8/20 0.68
▸ HDAC3 O15379 8/20 0.68
▸ HDAC4 P56524 7/20 0.68
▸ HDAC7 Q8WUI4 7/20 0.68
▸ HDAC11 Q96DB2 7/20 0.68
▸ HDAC5 Q9UQL6 7/20 0.68
▸ GALR3 O60755 2/20 0.65
▸ NR2F2 P24468 2/20 0.65
▸ TNF P01375 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.60
▸ PTAFR P25105 1/20 0.58

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
SCHEMBL14000450 0.90 HDAC1 (0.81) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL1331422 0.85 HDAC1 (0.74) HDAC1HDAC6GALR3NR2F2TNF
SCHEMBL3668391 0.85 HDAC1 (0.73) HDAC1HDAC6GALR3NR2F2TNF
SCHEMBL9302226 0.84 HDAC1 (0.73) HDAC1HDAC6GALR3NR2F2TNF
Hydrochloric Acid SCHEMBL3500155 0.84 HDAC1 (0.73) HDAC1HDAC6GALR3NR2F2TNF
SCHEMBL12850643 0.84 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL9302136 0.84 HDAC1 (0.72) HDAC1HDAC6GALR3NR2F2TNF
SCHEMBL14376771 0.81 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL22110373 0.81 HDAC6 (1.00) HDAC1HDAC6HDAC2HDAC8HDAC10
SCHEMBL9256992 0.81 HDAC1 (0.68) HDAC1HDAC6GALR3NR2F2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 — — EP disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 — — EP disclosed
US-RE47009-E1 HDAC inhibitors and therapeutic methods using the same THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2018-08-28 — — US disclosed
US-9249087-B2 HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 — — US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 — — US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 — — US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 — — US disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 — — WO 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-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 HDAC1 1/4885HDAC6 9/4885HDAC2 6/4885

“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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