SCHEMBL20766944

SCHEMBL20766944

Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.50
HDAC3 O15379 16/20 0.46
HDAC2 Q92769 12/20 0.46
NCOR2 Q9Y618 8/20 0.46
NCOR1 O75376 2/20 0.45

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
SCHEMBL20767162 0.82 NPC1 (0.49)
SCHEMBL20767328 0.77 RAB9A (0.53)
SCHEMBL20766814 0.77 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2NCOR1
SCHEMBL16926480 0.73 NPC1 (0.55)
SCHEMBL23992177 0.73 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2NCOR1
SCHEMBL20767264 0.70 IDO1 (0.59) HDAC1HDAC3HDAC2NCOR2
SCHEMBL16886014 0.69 HDAC1 (0.82) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1266865 0.69 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2NCOR1
SCHEMBL15551664 0.68 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2
SCHEMBL18086518 0.68 HDAC3 (0.67) HDAC1HDAC3HDAC2NCOR2NCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
EP-3672970-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2020-07-01 EP disclosed
CN-111051305-A Therapeutic heterocyclic compounds 吉利德科学公司 2020-04-21 CN disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 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 (4 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-11229638-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 HDAC1 207/4885HDAC3 198/4885HDAC2 428/4885
US-20190192504-A1 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 HDAC1 207/4885HDAC3 198/4885HDAC2 428/4885
US-11040033-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 HDAC1 207/4885HDAC3 198/4885HDAC2 428/4885
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, CYP11B2, ABCB1 HDAC1 207/4885HDAC3 198/4885HDAC2 428/4885

“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.