SCHEMBL215287

SCHEMBL215287

c1ccc2c(c1)CC[N]S2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
RYR2 Q92736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL757802 0.76
SCHEMBL7352569 0.70 TSHR (0.32) TSHR
SCHEMBL4488551 0.67 ALDH1A1 (0.50) TSHRSIGMAR1HTR2CRYR2KDM4E
SCHEMBL519685 0.64 TSHR (0.53) NOS3NOS2TSHRHTR2CMAOA
SCHEMBL45328 0.64 RYR2 (0.31) RYR2KDM4EALDH1A1HPGD
SCHEMBL3081411 0.64 ALDH1A1 (0.38) RYR2KDM4EALDH1A1HPGDMAOA
SCHEMBL8275 0.64 RYR2 (0.31) RYR2KDM4EALDH1A1HPGD
SCHEMBL1588593 0.64 CA12 (0.35) TSHRHTR2CRYR2KDM4EALDH1A1
SCHEMBL4495800 0.64 TSHR (0.52) TSHRSIGMAR1HTR2CKDM4EALDH1A1
SCHEMBL29387129 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 EP claimed
US-8778628-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-15 US claimed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US claimed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US claimed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US claimed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 EP claimed
CN-115210273-B Process for controlling the formation of ziegler-natta procatalyst particles and use for olefin polymerization 布拉斯科美国公司 2024-07-12 CN disclosed
US-20240174776-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W.R. GRACE & CO.-CONN. (US) 2024-05-30 US disclosed
US-11925689-B2 Multifunctional forms of polyoxazoline copolymers and drug compositions comprising the same SERINA THERAPEUTICS, INC. (US) 2024-03-12 US disclosed
US-20240043446-A1 ANTHELMINTIC COMPOUNDS COMPRISING A THIENOPYRIDINE STRUCTURE INTERVET INC. (US) 2024-02-08 US disclosed
US-20240043385-A1 ANTHELMINTIC COMPOUNDS COMPRISING A PYRIDINE STRUCTURE INTERVET INC. (US) 2024-02-08 US disclosed
EP-4308615-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W. R. Grace & Co.-Conn (US) 2024-01-24 EP disclosed
CN-117355546-A Spherical catalyst component for olefin polymerization 格雷斯公司 2024-01-05 CN disclosed
WO-2002018383-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2002-03-07 WO disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
EP-0639182-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed
WO-1992018483-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 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 (6 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-20240043385-A1 ANTHELMINTIC COMPOUNDS COMPRISING A PYRIDINE STRUCTURE HRH4, PNPO, NME4 NOS3 2931/4885NOS2 2849/4885TSHR 4610/4885
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA NOS3 3755/4885NOS2 2463/4885TSHR 1304/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 NOS3 1915/4885NOS2 1807/4885TSHR 126/4885
US-20240043446-A1 ANTHELMINTIC COMPOUNDS COMPRISING A THIENOPYRIDINE STRUCTURE DHODH, NISCH, DDT NOS3 3049/4885NOS2 2469/4885TSHR 2866/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 NOS3 1915/4885NOS2 1807/4885TSHR 126/4885
US-11925689-B2 Multifunctional forms of polyoxazoline copolymers and drug compositions comprising the same ERBB3, ERBB2, PANK2 NOS3 559/4885NOS2 1225/4885TSHR 3404/4885

“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.