SCHEMBL131652

SCHEMBL131652

[NH]Cc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2A6 P11509 1/20 0.60
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MC3R P41968 1/20 0.44
ALOX5 P09917 1/20 0.44
PYCR1 P32322 1/20 0.43

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
SCHEMBL132340 0.81 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL2838141 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29560700 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6240981 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL132200 0.78 SIGMAR1 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL720558 0.76 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29955760 0.76 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL130903 0.76 SIGMAR1 (0.58) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL44621 0.75 CYP2A6 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL7439598 0.75 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US claimed
EP-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 EP claimed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
EP-1412328-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP claimed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US claimed
WO-2003008378-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO claimed
EP-3689891-B1 COBALT COMPLEX, PRODUCTION METHOD THEREFOR, AND CATALYST FOR HYDROSILYLATION REACTION UNIV KYUSHU NAT UNIV CORP (JP) 2023-03-01 EP disclosed
US-11591354-B2 Thiamine compound, preparation method and pharmaceutical composition thereof SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) 2023-02-28 US disclosed
CN-107660202-B Water-soluble prodrugs 大日本住友制药肿瘤公司 2021-12-24 CN disclosed
EP-3889160-A1 THIAMINE COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Shanghai Raising Pharmaceutical Co., Ltd. (CN) 2021-10-06 EP disclosed
CN-107406476-B Mononuclear iron complex and organic synthesis reaction using same 国立大学法人九州大学 2021-07-27 CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
EP-0279781-A2 Process for the preparation of 4-acetoxy-3-hydroxyethyl-acetidinone CIBA-GEIGY AG (CH) 1988-08-24 EP disclosed
EP-0214708-A2 Griseolic acid derivatives, their preparation and their use SANKYO COMPANY LIMITED (JP) 1987-03-18 EP disclosed
US-4634706-A BRAIN METABOLISM SANKYO COMPANY LIMITED (JP) 1987-01-06 US disclosed
EP-0143557-A2 Griseolic acid derivatives, and their use SANKYO COMPANY LIMITED (JP) 1985-06-05 EP disclosed
EP-0056475-A2 Pharmaceutical compositions MERCK PATENT GmbH (DE) 1982-07-28 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 (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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK CYP1A2 1420/4885CYP2A6 2384/4885HTR2A 3813/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 CYP1A2 2133/4885CYP2A6 2515/4885HTR2A 1109/4885
US-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 CYP1A2 2980/4885CYP2A6 2461/4885HTR2A 4364/4885
US-11591354-B2 Thiamine compound, preparation method and pharmaceutical composition thereof SLC19A2, APP, BACE1 CYP1A2 182/4885CYP2A6 205/4885HTR2A 324/4885

“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.