SCHEMBL506396

SCHEMBL506396

CC(C)(C)c1cccc(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KIF11 P52732 1/20 0.41
BACE1 P56817 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TACR1 P25103 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CCR9 P51686 1/20 0.37

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
SCHEMBL4564437 0.83 TDP1 (0.46) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL7158092 0.83 CETP (0.40) TRPA1ALDH1A1TSHRHTR2AHTR2C
SCHEMBL5433184 0.82 ACHE (0.46) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL1653927 0.82 KIF11 (0.49) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL30573009 0.82 KIF11 (0.49) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL12772100 0.80 MEN1 (0.54) BCHEALDH1A1TSHRBACE1CYP1A2
SCHEMBL12163330 0.80 BCHE (0.44) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL15504962 0.80 MEN1 (0.40) ACHEBCHETRPA1ALDH1A1TSHR
SCHEMBL4678470 0.79 CYP2C19 (0.52) ACHEBCHEHDAC4HDAC2HDAC8
SCHEMBL14122177 0.79 ATM (0.42) TRPA1ALDH1A1TSHRHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652422-A High-purity high-temperature-resistant anti-aging low-dielectric polyphenyl ether and preparation method thereof 四川大学 2024-09-17 CN claimed
CN-118652422-A High-purity high-temperature-resistant anti-aging low-dielectric polyphenyl ether and preparation method thereof 四川大学 2024-09-17 CN disclosed
CN-114845708-A Compounds for treating bacterial infections and enhancing antibiotics 乔治亚州大学研究基金会 2022-08-02 CN disclosed
CN-112566631-A Amidines and amidine analogs for the treatment of bacterial infections and potentiation of antibiotics 乔治亚州大学研究基金会 2021-03-26 CN disclosed
WO-2018009539-A1 INHIBITORS OF HEXOKINASE AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2018-01-11 WO disclosed
EP-2949650-B1 Synthetic method for the preparation of 1,2-Benzisothiazolin-3-one SHOUGUANG SYNTECH FINE CHEMICAL CO LTD (CN) 2017-10-11 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed
US-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 US disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 US disclosed
EP-0319316-A2 Griseolic acid monoesters, their preparation and use SANKYO COMPANY LIMITED (JP) 1989-06-07 EP disclosed
US-4723028-A DIAGNOSIS OF LEUKEMIA SHUDO KOICHI (JP) 1988-02-02 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 (1 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 ACHE 146/4885BCHE 748/4885HDAC4 1367/4885

“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.