SCHEMBL4889600

SCHEMBL4889600

CCC(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL17094759 0.85 ATM (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8004853 0.83 GSK3B (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12609858 0.83 GSK3B (0.53) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29628383 0.83 GSK3B (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27803947 0.82 ATM (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2127069 0.82 TSHR (0.57) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL20503227 0.80 HSD17B3 (0.55) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL770793 0.79 CHRNA1 (0.47) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10740496 0.79 HSP90AB1 (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL633370 0.79 ALDH1A1 (0.50) MAPTALDH1A1HPGDMEN1KMT2A

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
CN-116751105-A Preparation method of 4-bromocyclopropylbenzene 爱斯特(成都)生物制药股份有限公司 2023-09-15 CN claimed
CN-116751105-B Preparation method of 4-bromocyclopropylbenzene 爱斯特(成都)生物制药股份有限公司 2026-03-31 CN disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
CN-116751105-A Preparation method of 4-bromocyclopropylbenzene 爱斯特(成都)生物制药股份有限公司 2023-09-15 CN disclosed
CN-116751105-A Preparation method of 4-bromocyclopropylbenzene 爱斯特(成都)生物制药股份有限公司 2023-09-15 CN disclosed
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-05-06 US disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
WO-2016093342-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF 日本たばこ産業株式会社 2016-06-16 WO disclosed
CN-103443074-B Heterocyclic amine derivative HOFFMAN-LA ROCHE LTD. (CH) 2016-04-13 CN disclosed
CN-102341379-B Benzothiazine derivative, its preparation method and the application as medicine thereof PIERRE FABRE MEDICAMENT (FR) 2015-08-26 CN disclosed
US-8802673-B2 Heterocyclic amine derivatives Hoffmann-La Roche Inc (US) 2014-08-12 US disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
US-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A MAPT 353/4885ALDH1A1 609/4885HPGD 3129/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI MAPT 1254/4885ALDH1A1 132/4885HPGD 466/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI MAPT 1254/4885ALDH1A1 132/4885HPGD 466/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI MAPT 1254/4885ALDH1A1 132/4885HPGD 466/4885

“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.