SCHEMBL4253285

SCHEMBL4253285

COc1cc(C=O)c(Br)cc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.75
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ERN1 O75460 7/20 0.47
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38

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
SCHEMBL14581264 0.92 PRKDC (0.75) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL515642 0.86 PRKDC (1.00) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL15942808 0.85 PRKDC (0.63) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL698744 0.84 PRKDC (0.81) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL18232228 0.84 ALDH1A1 (0.61) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL697093 0.82 ALDH1A1 (0.59) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL1039129 0.82 ALDH1A1 (0.72) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL10102093 0.80 PRKDC (0.53) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL670086 0.80 LMNA (0.77) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL30665931 0.80 PRKDC (0.81) PRKDCALDH1A1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558979-B1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-02-17 EP disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
US-9834723-B2 Pentaarylbiimidazole compound and production method for said compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-12-05 US disclosed
US-20170130124-A1 PENTAARYLBIIMIDAZOLE COMPOUND AND PRODUCTION METHOD FOR SAID COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-05-11 US disclosed
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 US disclosed
EP-2393779-B1 PROCESS FOR THE SYNTHESIS OF CLEISTANTHIN GODAVARI BIOREFINERIES LTD (IN) 2013-11-06 EP disclosed
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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 (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-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN PRKDC 830/4885ALDH1A1 4541/4885MAPT 4/4885
US-20170130124-A1 PENTAARYLBIIMIDAZOLE COMPOUND AND PRODUCTION METHOD FOR SAID COMPOUND PPOX, CDK4, PAICS PRKDC 512/4885ALDH1A1 432/4885MAPT 2623/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 PRKDC 4201/4885ALDH1A1 3487/4885MAPT 2/4885
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 PRKDC 3978/4885ALDH1A1 4457/4885MAPT 237/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PRKDC 3894/4885ALDH1A1 3761/4885MAPT 3509/4885
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 PRKDC 4636/4885ALDH1A1 1056/4885MAPT 2717/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN PRKDC 830/4885ALDH1A1 4541/4885MAPT 4/4885

“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.