SCHEMBL1245039

SCHEMBL1245039

c1ccn(-c2nccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 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
Tert-Butyl Formate SCHEMBL27967417 0.79 TDP1 (0.38) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL2228160 0.76 CYP3A4 (0.41) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL1782525 0.71 ALDH1A1 (0.45) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL5579491 0.70 LMNA (0.53) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL4453197 0.69 LMNA (0.40) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL29102030 0.68
SCHEMBL27807426 0.68 LMNA (0.36) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL16198389 0.67 LMNA (0.58) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL30486192 0.67 HSD17B10 (0.73) LMNAHSD17B10TDP1ALDH1A1MAPT
SCHEMBL12349896 0.67 LMNA (0.58) LMNAGLAHSD17B10TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399931-B2 Octahydroanthracene compound, preparation method and application thereof SHANDONG XINHUA PHARMACEUTICAL CO., LTD. (CN) 2019-09-03 US claimed
CN-110092788-A Substituted [1,2,4] triazol [1,5-a] pyrimidin-7-yl compound as PDE2 inhibitor 达特神经科学(开曼)有限公司 2019-08-06 CN claimed
CN-106459062-A Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2017-02-22 CN claimed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US claimed
EP-1638568-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP claimed
EP-1638568-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 EP claimed
EP-1819721-A1 MICROCIN B17 ANALOGS AND METHODS FOR THEIR PREPARATION AND USE Plant Bioscience Limited (GB) 2007-08-22 EP claimed
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2006-06-15 US claimed
WO-2006054102-A1 MICROCIN B17 ANALOGS AND METHODS FOR THEIR PREPARATION AND USE PLANT BIOSCIENCE LIMITED (GB) 2006-05-26 WO claimed
EP-1638568-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2006-03-29 EP claimed
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-11-24 US claimed
WO-2005004801-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-20 WO claimed
CN-1147493-C Oxazolo, thiazolo and selenazolo [4,5-C]-quinolin-4-amines and analoges thereof 3M 2004-04-28 CN claimed
CN-1432606-A Optical recording medium dye LAIDE SCI TECH CO LTD (CN) 2003-07-30 CN claimed
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US claimed
CN-1320126-A Oxazolo, thiazolo and selenazolo [4, 5-C ] quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2001-10-31 CN claimed
EP-0253711-B1 1H,3H-pyrrolo[1,2-c]thiazole derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1990-05-23 EP claimed
CN-113454082-B Imidazopyridinyl compounds and their use for the treatment of neurodegenerative diseases 第一生物治疗股份有限公司 2024-07-02 CN disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
US-3980089-A Novel heterocyclic flavoring compositions and processes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-09-14 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 (4 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-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PTGS2, PTGES2, PTGES LMNA 2617/4885GLA 2634/4885HSD17B10 1960/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 LMNA 3446/4885GLA 2545/4885HSD17B10 3066/4885
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions CNR1, CNR2, KCNJ11 LMNA 2116/4885GLA 3177/4885HSD17B10 2571/4885
US-10399931-B2 Octahydroanthracene compound, preparation method and application thereof ODC1, OTC, TMT1A LMNA 2598/4885GLA 2336/4885HSD17B10 1548/4885

“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.