SCHEMBL21375836

SCHEMBL21375836

CCCNNC(=O)CCCCCCNC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.60
▸ USP2 O75604 2/20 0.58
▸ CFTR P13569 1/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ GOPC Q9HD26 1/20 0.58
▸ HDAC3 O15379 10/20 0.39
▸ HDAC1 Q13547 9/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC2 Q92769 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ HTRA2 O43464 1/20 0.35
▸ HTRA1 Q92743 1/20 0.35

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 SCHEMBL21356610 0.95 ABCB1 (0.55) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375317 0.87 ABCB1 (0.57) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375908 0.84 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL21375837 0.83 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356618 0.82 HDAC3 (0.53) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356615 0.82 HDAC3 (0.53) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356611 0.82 HDAC3 (0.53) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356616 0.82 HDAC3 (0.53) ABCB1USP2CFTRPAX8ATM
Trifluoroacetic Acid SCHEMBL21356619 0.82 HDAC3 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL13662482 0.82 ABCB1 (0.68) 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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