SCHEMBL6206

SCHEMBL6206

[c]1ccc(-c2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.63
LOXL2 Q9Y4K0 1/20 0.55
ADRB2 P07550 3/20 0.55
CYP2A6 P11509 1/20 0.50
SMPD3 Q9NY59 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL722198 0.84 PDPK1 (0.77) PDPK1LOXL2ADRB2CYP2A6SMPD3
2-Phenylthiazole SCHEMBL70646 0.77 PDPK1 (1.00) PDPK1LOXL2ADRB2CYP2A6SMPD3
SCHEMBL1653986 0.77 PDPK1 (0.68) PDPK1LOXL2ADRB2CYP2A6SMPD3
SCHEMBL744756 0.76 CYP2A6 (0.53) PDPK1LOXL2ADRB2CYP2A6SMPD3
SCHEMBL533513 0.76 PDPK1 (0.60) PDPK1LOXL2ADRB2CYP2A6SMPD3
2-Phenylthiazole SCHEMBL10667585 0.76 PDPK1 (0.95) PDPK1LOXL2ADRB2CYP2A6SMPD3
SCHEMBL17704291 0.76 PDPK1 (0.65) PDPK1LOXL2ADRB2CYP2A6SMPD3
2-Phenylthiazole SCHEMBL10519953 0.76 PDPK1 (0.95) PDPK1LOXL2ADRB2CYP2A6SMPD3
2-Phenylthiazole SCHEMBL4939218 0.76 PDPK1 (0.95) PDPK1LOXL2ADRB2CYP2A6SMPD3
2-Phenylthiazole SCHEMBL28319382 0.76 PDPK1 (0.95) PDPK1LOXL2ADRB2CYP2A6SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353631-A1 1,4-Benzoxazines for the Treatment of Cancers and Other Neurodegenerative Diseases Neugeneron LLC 2021-11-18 US claimed
US-20200274077-A1 PHOTOELECTRIC CONVERSION ELEMENT AND IMAGING APPARATUS SONY CORPORATION (JP) 2020-08-27 US claimed
CN-111316459-A Photoelectric conversion element and imaging device 索尼公司 2020-06-19 CN claimed
CN-106349184-A Preparation method of 2- (ortho-alkylaryl) benzothiazole series 江西师范大学 2017-01-25 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
CN-103124774-B Metal complex dye, photo-electric conversion element and photoelectrochemical cell FUJIFILM CORP. (JP) 2015-08-19 CN claimed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN claimed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO claimed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO claimed
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP claimed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO claimed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed
CN-1065070-A 11 beta-aryl-4-estrenes of 6,7-sex change SCHERING AG (DE) 1992-10-07 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 PDPK1 1486/4885LOXL2 3565/4885ADRB2 4474/4885
US-20210353631-A1 1,4-Benzoxazines for the Treatment of Cancers and Other Neurodegenerative Diseases GBA1, NFXL1, CYP4X1 PDPK1 1423/4885LOXL2 2527/4885ADRB2 2997/4885
US-20200274077-A1 PHOTOELECTRIC CONVERSION ELEMENT AND IMAGING APPARATUS PPOX, JUP, L1CAM PDPK1 620/4885LOXL2 1597/4885ADRB2 4660/4885

“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.