SCHEMBL188594

SCHEMBL188594

[CH2]c1csc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
MAPT P10636 3/20 0.48
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
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GPR3 P46089 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
Hydrochloric Acid SCHEMBL28502920 0.98 CYP2A6 (0.48) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL9729982 0.76 CYP2A6 (0.42) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL4381193 0.74 CYP2A6 (0.54) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL4067824 0.73 CYP2A6 (0.40) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL264791 0.72 CYP2A6 (0.52) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL6836543 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL1308770 0.70 CYP2A6 (0.54) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL4807204 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL546825 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL1568025 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247837-A1 NEW CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND USE OF SAID CYCLIC COMPOUNDS IN COSMETIC PREPARATIONS Eberhard-Karls-Universität Tübingen (DE) 2023-09-27 EP claimed
CN-116635400-A Novel cyclic compounds, method for the production thereof and use of these cyclic compounds in cosmetic preparations 艾伯哈特卡尔斯图宾根大学 2023-08-22 CN claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
WO-2022106667-A1 NEW CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND USE OF SAID CYCLIC COMPOUNDS IN COSMETIC PREPARATIONS EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2022-05-27 WO claimed
EP-4001296-A1 NOVEL CYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN COSMETIC COMPOSITIONS Eberhard Karls Universität Tübingen (DE) 2022-05-25 EP claimed
US-10550112-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-04 US claimed
US-20180194758-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US claimed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
EP-3325469-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2018-05-30 EP claimed
US-5169841-A Enzyme inhibitors, hypotensive agents, high enteral bioauailability HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-08 US claimed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP claimed
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP claimed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP claimed
EP-0050072-B1 CYCLOPROPYL METHYL PIPERAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS INNOTHERA (FR) 1984-12-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10550112-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 CYP2A6 3294/4885MAPT 2402/4885HDAC3 3859/4885
US-20180194758-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 CYP2A6 3635/4885MAPT 2836/4885HDAC3 4236/4885

“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.