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
SCHEMBL12349896 0.67 LMNA (0.58) LMNAGLAHSD17B10TDP1ALDH1A1
SCHEMBL29204149 0.67 HSD17B10 (0.73) LMNAHSD17B10TDP1ALDH1A1MAPT
SCHEMBL16198389 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.

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