SCHEMBL3816448

SCHEMBL3816448

NC(=S)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.53
F12 P00748 1/20 0.53
NCF1 P14598 1/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
BACE1 P56817 1/20 0.53
PLG P00747 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.50
CYP2A6 P11509 1/20 0.48
CNR2 P34972 5/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
TSHR P16473 2/20 0.41

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
SCHEMBL5598284 0.84 PLAU (0.59) PLAUF12NCF1NOS3NOS1
SCHEMBL30075132 0.84 RAB9A (0.49) PLAUF12NCF1NOS3NOS1
SCHEMBL29358323 0.82 CNR2 (0.53) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL5729154 0.82 PLAU (0.57) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL7002084 0.82 PLAU (0.57) PLAUF12NCF1NOS3NOS1
SCHEMBL111310 0.82 CNR2 (0.53) PLAUF12NCF1NOS3NOS1
Naphthalene SCHEMBL10758679 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL4433615 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL28198741 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL6603107 0.79 PLAU (0.53) PLAUF12NCF1NOS3NOS1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981850-B Green preparation method of thioamide 华南农业大学 2020-11-13 CN disclosed
CN-110981850-A Green preparation method of thioamide 华南农业大学 2020-04-10 CN disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
CN-106047183-B Anaerobic curing composition 汉高知识产权控股有限责任公司 2018-03-02 CN disclosed
CN-102549059-B Anaerobic curing composition Henkel IP & Holding GmbH (DE) 2016-05-18 CN disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
US-5494909-A ANTIISCHEMIC AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-02-27 US disclosed
EP-0620820-A1 NOVEL SUBSTITUTED OXAZINOISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1994-10-26 EP disclosed
WO-1993012118-A1 NOVEL SUBSTITUTED OXAZINOISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-06-24 WO 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 PLAU 897/4885F12 512/4885NCF1 3544/4885

“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.