SCHEMBL12357

SCHEMBL12357

Cc1ccc2cnsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
CYP2A6 P11509 3/20 0.44
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TRPM5 Q9NZQ8 5/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPA1 O75762 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 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
SCHEMBL16573979 0.84 TRPM5 (0.37) CYP1A2CYP2A6TRPM5SLC6A2SLC6A4
SCHEMBL2616765 0.83 TRPM5 (0.45) CYP1A2CYP2A6MAPTRAB9ATRPM5
SCHEMBL8179146 0.78 SMN1; SMN2 (0.46) CYP1A2CYP2A6MAPTRAB9ATRPM5
SCHEMBL17468808 0.75 CNR1 (0.39) MAPTRAB9ATRPM5SLC6A2SLC6A4
SCHEMBL8068582 0.74 TRPM5 (0.45) CYP2A6MAPTRAB9ATRPM5SLC6A2
SCHEMBL911755 0.74 ESR2 (0.41) CYP1A2MAPTTRPM5SLC6A2SLC6A4
SCHEMBL8805251 0.74 GFER (0.41) CYP1A2CYP2A6MAPTRAB9ATRPM5
SCHEMBL3709276 0.74 MEN1 (0.41) MAPTRAB9ATRPM5SLC6A2SLC6A4
SCHEMBL1594696 0.74 NOS1 (0.39) CYP1A2CYP2A6MAPTRAB9ATRPM5
SCHEMBL1309602 0.74 TRPA1 (0.50) CYP2A6MAPTRAB9ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214182-A Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2021-08-06 CN claimed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 EP disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-01 US disclosed
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
EP-3949731-A1 PYRIDAZINONE COMPOUND AND HERBICIDE Nissan Chemical Corporation (JP) 2022-02-09 EP disclosed
US-7790756-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2010-09-07 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (7 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CYP1A2 121/4885CYP2A6 565/4885MAPT 1263/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 CYP1A2 2777/4885CYP2A6 3119/4885MAPT 4189/4885
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE CHRM1, CHRM2, CHRM4 CYP1A2 336/4885CYP2A6 399/4885MAPT 4606/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MAPT 4256/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP1A2 2024/4885CYP2A6 3540/4885MAPT 3674/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CYP1A2 1674/4885CYP2A6 2233/4885MAPT 3484/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CYP1A2 2430/4885CYP2A6 3209/4885MAPT 3185/4885

“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.