SCHEMBL422977

SCHEMBL422977

c1c[nH]c(-c2nccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
CYP2A6 P11509 1/20 0.43
METAP1 P53582 1/20 0.41
RAB9A P51151 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
ADRB2 P07550 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
FBP1 P09467 1/20 0.35
PDK1 Q15118 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDR P35968 1/20 0.35
F2RL1 P55085 1/20 0.35
BCHE P06276 1/20 0.35
ADRA1B P35368 1/20 0.33

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 SCHEMBL27967550 0.82 TDP1 (0.35) PDPK1CYP2A6METAP1RAB9AKDM4C
SCHEMBL5076868 0.77 PDPK1 (0.36) PDPK1CYP2A6METAP1RAB9AADRA1D
SCHEMBL5902312 0.74 RAB9A (0.48) PDPK1CYP2A6METAP1RAB9AADRA1D
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL1288402 0.69 POLB (0.50) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL24697624 0.68 KDM4C (0.33) KDM4CCDK5CDK5R1KDRBCHE
SCHEMBL19368365 0.68 ADRA2A (0.44) PDPK1CYP2A6LOXL2HSP90AA1
SCHEMBL30534095 0.67 PDPK1 (0.56) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL31556353 0.67 PDPK1 (0.56) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL30632310 0.67 PDPK1 (0.56) PDPK1CYP2A6METAP1RAB9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003132-A A kind of thiazoles IDO inhibitor and preparation method thereof 河南师范大学 2019-07-12 CN claimed
CN-102532050-A Preparation method for 2-amido substitutional oxazole (thioazole) derivative LANZHOU CHEM PHYS INST 2012-07-04 CN 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-0583806-B1 Acrylic derivatives of 2-thiazolypyrroles having a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1997-10-15 EP claimed
EP-0554956-B1 Thiazolylpyrroles having a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1997-10-01 EP claimed
US-5334605-A Agricultural uses MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E (IT) 1994-08-02 US claimed
EP-0583806-A1 Acrylic derivatives of 2-thiazolypyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1994-02-23 EP claimed
EP-0554956-A1 Thiazolylpyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP claimed
JP-6293757-A None JP disclosed
CN-115867442-A Composition for elastomeric compounds comprising a tetrazole compatibiliser and tyre comprising such a composition 倍耐力轮胎股份公司 2023-03-28 CN disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
EP-3831940-A1 SMALL MOLECULE INHIBITORS OF CRISPR-CAS ASSOCIATED ACTIVITY Danmarks Tekniske Universitet (DK) 2021-06-09 EP disclosed
EP-3831940-A1 SMALL MOLECULE INHIBITORS OF CRISPR-CAS ASSOCIATED ACTIVITY Danmarks Tekniske Universitet (DK) 2021-06-09 EP disclosed
EP-0583806-A1 Acrylic derivatives of 2-thiazolypyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1994-02-23 EP disclosed
EP-0583806-A1 Acrylic derivatives of 2-thiazolypyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1994-02-23 EP disclosed
EP-0554956-A1 Thiazolylpyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP disclosed
EP-0554956-A1 Thiazolylpyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP disclosed
EP-0554956-A1 Thiazolylpyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 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 (1 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-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions CNR1, CNR2, KCNJ11 PDPK1 657/4885CYP2A6 802/4885METAP1 3745/4885

“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.