SCHEMBL801748

SCHEMBL801748

COc1cc(C(C)=O)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL503429 0.84 CA12 (0.71) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL31406172 0.84 CA12 (0.71) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL195793 0.84 ALDH1A1 (0.56) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL31003218 0.84 ALDH1A1 (0.56) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL16953406 0.83 TSHR (0.45) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29399077 0.83 TSHR (0.73) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27753902 0.83 TSHR (0.73) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL76834 0.83 TSHR (0.73) LMNATSHRCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2377733 0.82 CA12 (0.69) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL1757167 0.82 MAPT (0.64) LMNATSHRCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064823-A1 THIADIAZINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2025-02-27 US disclosed
US-12194050-B2 Thiadiazine derivatives RICHTER GEDEON NYRT. (HU) 2025-01-14 US disclosed
WO-2023192348-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-05 WO disclosed
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 US disclosed
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 US disclosed
EP-3820865-A1 THIADIAZINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP disclosed
US-10912767-B2 Anthracycline prodrugs and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-02-09 US disclosed
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 US disclosed
WO-2020012423-A1 THIADIAZINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2018-01-04 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 US disclosed
WO-2008116029-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-09-25 WO disclosed
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers L'OREAL (FR) 2007-04-26 US disclosed
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers L'OREAL (FR) 2007-04-26 US disclosed
WO-2004024074-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO., INC. (US) 2004-03-25 WO disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 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 (8 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-12194050-B2 Thiadiazine derivatives CHRNA5, CHRNA7, CHRNA1 LMNA 2599/4885TSHR 202/4885CYP1A2 169/4885
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers HPGD, KRT18, PTGS1 LMNA 2229/4885TSHR 3363/4885CYP1A2 297/4885
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN LMNA 1777/4885TSHR 4355/4885CYP1A2 4821/4885
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP LMNA 3895/4885TSHR 2075/4885CYP1A2 3568/4885
US-10912767-B2 Anthracycline prodrugs and methods of making and using the same TET3, DPYD, CYP2C9 LMNA 422/4885TSHR 4458/4885CYP1A2 25/4885
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK LMNA 3095/4885TSHR 2464/4885CYP1A2 4883/4885
US-11147884-B2 Inhibitors of NHE-mediated antiport SLC10A1, SLC10A2, SLC9A2 LMNA 3399/4885TSHR 681/4885CYP1A2 2168/4885
US-20250064823-A1 THIADIAZINE DERIVATIVES CHRNA5, CHRNA7, CHRM5 LMNA 2462/4885TSHR 191/4885CYP1A2 189/4885

“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.