SCHEMBL21375908

SCHEMBL21375908

CCCNNC(=O)c1ccc(CNC(=O)c2ccccc2-c2c3ccc(=N)cc-3oc3cc(N)ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.59
▸ USP2 O75604 1/20 0.57
▸ CFTR P13569 1/20 0.57
▸ PAX8 Q06710 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ GOPC Q9HD26 1/20 0.57
▸ HDAC3 O15379 17/20 0.51
▸ HDAC1 Q13547 17/20 0.51
▸ HDAC2 Q92769 16/20 0.51
▸ NCOR2 Q9Y618 4/20 0.51
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 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
Trifluoroacetic Acid SCHEMBL21356614 0.95 ABCB1 (0.54) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375328 0.95 ABCB1 (0.55) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356622 0.91 ABCB1 (0.51) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375837 0.88 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375778 0.85 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356613 0.84 ABCB1 (0.51) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375836 0.84 ABCB1 (0.60) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356620 0.81 ABCB1 (0.53) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356621 0.81 ABCB1 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL14399387 0.81 ABCB1 (0.78) ABCB1USP2CFTRPAX8ATM

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-10703737-B2 HDAC inhibitors and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-07-07 — — US disclosed
US-20190284154-A1 HDAC INHIBITORS AND USES THEREOF MEDICAL UNIVERSITY OF SOUTH CAROLINA 2019-09-19 — — 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-10703737-B2 HDAC inhibitors and uses thereof HDAC1, HDAC3, HDAC5 ABCB1 4074/4885USP2 1516/4885CFTR 4286/4885
US-20190284154-A1 HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC3, HDAC5 ABCB1 4074/4885USP2 1516/4885CFTR 4286/4885

“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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