SCHEMBL1601877

SCHEMBL1601877

CC(=O)Nc1c(C)cc(Br)cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.51
PTPRB P23467 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LCK P06239 2/20 0.41
LMNA P02545 1/20 0.40
IDH1 O75874 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
SCHEMBL31218457 0.90 ALDH1A1 (0.45) ALDH1A1HPGDPTPRBHSD17B10TAS1R3
SCHEMBL21979989 0.90 ALDH1A1 (0.45) ALDH1A1HPGDPTPRBHSD17B10TAS1R3
SCHEMBL18415477 0.84 ALDH1A1 (0.61) ALDH1A1HPGDTAS1R3TAS1R1TAS1R2
SCHEMBL30487417 0.84 ALDH1A1 (0.54) ALDH1A1HPGDPTPRBHSD17B10TAS1R3
SCHEMBL11619402 0.84 ALDH1A1 (0.44) ALDH1A1HPGDPTPRBHSD17B10TAS1R3
SCHEMBL7620537 0.82 HPGD (0.55) ALDH1A1HPGDPTPRBHSD17B10MAPT
SCHEMBL2902943 0.82 ALDH1A1 (0.63) ALDH1A1HPGDPTPRBHSD17B10MEN1
SCHEMBL1632654 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL20857699 0.80 LMNA (0.56) ALDH1A1HPGDPTPRBHSD17B10MAPT
SCHEMBL6354671 0.80 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA

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-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors BEIGENE, LTD. (KY) 2025-01-23 US disclosed
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 EP disclosed
CN-118510778-A Thiazolopyridylamide derivatives as inhibitors of DNA polymerase θ 百济神州有限公司 2024-08-16 CN disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 US disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 WO disclosed
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 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 (5 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-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885HPGD 524/4885PTPRB 1193/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885HPGD 524/4885PTPRB 1193/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885HPGD 2068/4885PTPRB 1782/4885
US-20250026766-A1 Thiazolopyridyl Amide Derivatives as DNA Polymerase Theta Inhibitors POLQ, POLK, POLI ALDH1A1 2479/4885HPGD 1862/4885PTPRB 1604/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 ALDH1A1 2285/4885HPGD 524/4885PTPRB 1193/4885

“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.