SCHEMBL20766814

SCHEMBL20766814

Nc1cc(F)ccc1NC(=O)c1cc(B(O)O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC3 O15379 9/20 0.49
HDAC2 Q92769 4/20 0.49
NCOR2 Q9Y618 4/20 0.49
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
RORC P51449 2/20 0.44
NCOR1 O75376 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
FADS1 O60427 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL20766870 0.80 MAPK1 (0.54) TAS1R3TAS1R1HDAC8ALDH1A1RAB9A
SCHEMBL30566676 0.80 MAPK1 (0.54) TAS1R3TAS1R1HDAC8ALDH1A1RAB9A
SCHEMBL20766944 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2NCOR1
SCHEMBL30739959 0.76 TAS1R3 (0.58) HDAC1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL18146367 0.76 TAS1R3 (0.58) HDAC1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL18147101 0.76 MEN1 (0.52) HDAC1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL20371016 0.76 CYP1A2 (0.64) RORCNPC1RAB9A
SCHEMBL21022405 0.73 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2NCOR1
SCHEMBL15331049 0.73 HPGD (0.55) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL18147944 0.72 MAPT (0.50) HDAC1TAS1R3TAS1R1TAS1R2RORC

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 7 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-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
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
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.