SCHEMBL306406

SCHEMBL306406

Cc1ccc(C#N)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL2730509 0.82 ALDH1A1 (0.41) ARALDH1A1CYP2A6MAOBMAOA
SCHEMBL29728269 0.82 ALDH1A1 (0.41) ARALDH1A1CYP2A6MAOBMAOA
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ARALDH1A1CYP2A6MAOBMAOA
SCHEMBL4060179 0.77 AR (0.42) ARALDH1A1CYP2A6MAOBMAOA
SCHEMBL11110756 0.77 RAB9A (0.38) ALDH1A1CYP2A6MEN1HPGDKMT2A
SCHEMBL28618637 0.77 ALDH1A1 (0.35) ALDH1A1CYP2A6MEN1HPGDALOX15
SCHEMBL18615409 0.77 AR (0.52) AR
SCHEMBL1343170 0.76 MAOB (0.48) ALDH1A1ABCG2MAOBMAOATSHR
SCHEMBL277588 0.76 TSHR (0.52) ARALDH1A1CYP2A6TSHRPKM
SCHEMBL30361887 0.76 TSHR (0.52) ARALDH1A1CYP2A6TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-12398111-B2 Triazine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2025-08-26 US disclosed
US-20250250267-A1 NITROGEN-CONTAINING BRIDGED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2025-08-07 US disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
CN-119798258-A Nitrogen-containing bridge heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2025-04-11 CN disclosed
CN-119798257-A Nitrogen-containing bridge heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2025-04-11 CN disclosed
CN-119798256-A Nitrogen-containing bridge heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2025-04-11 CN disclosed
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
US-20250092027-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2025-03-20 US disclosed
CN-115572252-B Isoindolinone inhibitors of MDM2-P53 interaction with anticancer activity 阿斯泰克斯治疗有限公司 2025-02-25 CN disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed
US-5432190-A Antimycotic and aromatase inhibitory activities KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-07-11 US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed
US-5407952-A Azole derivatives, pharmaceutical compositions containing the same, and method for treating mycosis and estrogen-dependent diseases KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-18 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
EP-0005607-B1 XANTHONE AND THIOXANTHONE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1983-10-26 EP disclosed
US-4309429-A NEUROLEPTIC, ANTIEMETIC KEFALAS A/S (DK) 1982-01-05 US disclosed
US-4285956-A NEUROLEPTIC AND ANTICHOLENERGIC AGENTS; PSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA; ANTIEMETIC AGENTS KEFALAS A/S (DK) 1981-08-25 US disclosed
US-4275209-A NEUROLEPTIC AND ANTIEMETIC ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS KEFALAS A/S (DK) 1981-06-23 US disclosed
EP-0005607-A1 Xanthone and thioxanthone derivatives, their preparation and pharmaceutical compositions containing them KEFALAS A/S (DK) 1979-11-28 EP 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-20250092027-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 AR 900/4885ALDH1A1 1361/4885CYP2A6 2566/4885
US-20250250267-A1 NITROGEN-CONTAINING BRIDGED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF CFB, F11, CFH AR 4441/4885ALDH1A1 3027/4885CYP2A6 1069/4885
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 AR 2358/4885ALDH1A1 3064/4885CYP2A6 158/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A AR 1962/4885ALDH1A1 996/4885CYP2A6 704/4885
US-12398111-B2 Triazine compounds and pharmaceutical use thereof PTGIS, PTGS1, PTGES AR 1213/4885ALDH1A1 676/4885CYP2A6 2643/4885

“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.