SCHEMBL13833355

SCHEMBL13833355

Nc1cc(F)ccc1NC(=O)N1Cc2ccccc2C1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.80
TAS1R1 Q7RTX1 5/20 0.80
TAS1R2 Q8TE23 5/20 0.80
HDAC1 Q13547 8/20 0.56
HDAC2 Q92769 7/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
NAMPT P43490 2/20 0.48

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
SCHEMBL705033 0.89 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL21476817 0.84 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2HDAC1HDAC2
SCHEMBL19860011 0.83 TAS1R3 (0.75) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13736746 0.82 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2HDAC1HDAC2
SCHEMBL13833351 0.82 HDAC2 (0.71) TAS1R3TAS1R1TAS1R2HDAC1HDAC2
SCHEMBL13735552 0.81 HDAC1 (0.70) TAS1R3TAS1R1TAS1R2HDAC1HDAC2
SCHEMBL704767 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL27102975 0.78 TAS1R3 (0.75) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL3707574 0.78 TAS1R3 (0.75) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13833393 0.76 HDAC2 (0.65) HDAC1HDAC2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAc Therapeutics, Inc. 2021-06-17 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAC THERAPEUTICS INC (US) 2019-07-18 US disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HOWARD HUGHES MEDICAL INSTITUTE 2018-01-18 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 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 (9 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885
US-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 TAS1R3 3805/4885TAS1R1 4599/4885TAS1R2 4595/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 TAS1R3 3805/4885TAS1R1 4599/4885TAS1R2 4595/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 TAS1R3 2110/4885TAS1R1 1349/4885TAS1R2 2142/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 TAS1R3 2490/4885TAS1R1 1823/4885TAS1R2 2242/4885

“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.