SCHEMBL6662966

SCHEMBL6662966

O=C(O)c1cnc(-c2ccccc2F)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 4/20 0.47
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL31341112 0.85 CDC7 (0.45) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL31341319 0.83 HDAC6 (0.45) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL24702491 0.83 HDAC1 (0.45) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL31341303 0.83 HDAC1 (0.45) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL27816823 0.83 ALDH1A1 (0.57) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL16703315 0.83 HDAC1 (0.54) HDAC1HDAC6ALDH1A1HCAR2MEN1
SCHEMBL16051896 0.83 HDAC6 (0.68) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL4322417 0.82 ALDH1A1 (0.46) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL4283915 0.82 HPGD (0.55) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL23794603 0.81 CYP1A2 (0.47) HDAC1HDAC6NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO HEALTH, INC. (US) 2024-03-05 US disclosed
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 US disclosed
US-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2022-03-10 US disclosed
US-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2022-03-10 US disclosed
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 EP disclosed
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 EP disclosed
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2020-10-22 US disclosed
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2020-10-22 US disclosed
US-9745253-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2017-08-29 US disclosed
WO-2016149099-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-09-22 WO disclosed
WO-2016149099-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-09-22 WO disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 US disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 US disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 US disclosed
EP-1419161-A1 SUBSTITUTED-HETEROARYL-7-AZA 2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-05-19 EP disclosed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed
WO-2003018585-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-03-06 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 (7 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-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 HDAC1 3/4885HDAC6 10/4885NPC1 327/4885
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 HDAC1 3/4885HDAC6 10/4885NPC1 327/4885
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 HDAC1 3/4885HDAC6 10/4885NPC1 327/4885
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE SULT1E1, UGT1A7, UGT1A1 HDAC1 16/4885HDAC6 79/4885NPC1 613/4885
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 HDAC1 3/4885HDAC6 10/4885NPC1 327/4885
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 HDAC1 3/4885HDAC6 10/4885NPC1 327/4885
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GOT2, ABAT, SDHA HDAC1 164/4885HDAC6 27/4885NPC1 1028/4885

“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.