SCHEMBL547904

SCHEMBL547904

O=c1nn[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 9/20 0.43
GAA P10253 3/20 0.43
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 1/20 0.41
IDO1 P14902 1/20 0.41
TTK P33981 1/20 0.41
MAPK10 P53779 1/20 0.41
ALOX5 P09917 2/20 0.40

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
Bromoethane SCHEMBL874658 0.89 CYP1A2 (0.42) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL10639617 0.76 PDE3B (0.44) KDM4EGAAALDH1A1NPC1RAB9A
SCHEMBL11034516 0.74 ALDH1A1 (0.46) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL10885158 0.72 LMNA (0.43) CYP1A2KDM4EGAAALDH1A1HPGD
SCHEMBL10987571 0.72 JAK2 (0.50) PDPK1IDO1
SCHEMBL874687 0.72 KDM4E (0.42) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL874076 0.72 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL10883616 0.72 DAO (0.47) KDM4EALDH1A1TP53HPGDLMNA
SCHEMBL10883255 0.72 DAO (0.47) KDM4EALDH1A1HPGDLMNAMAP2K4
SCHEMBL2765738 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12532631-B2 Electronic apparatus and method of manufacturing the same SAMSUNG DISPLAY CO., LTD. (KR) 2026-01-20 US claimed
US-12127426-B2 Heterocyclic compound and electronic apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2024-10-22 US claimed
CN-114497728-B Electrolyte, electrochemical device and electronic device 宁德新能源科技有限公司 2024-06-11 CN claimed
CN-117987193-A Bentonite grease and preparation method thereof 中国石油化工股份有限公司 2024-05-07 CN claimed
CN-117964612-A Benzotriazinone oxadiazole derivative and preparation method and application thereof 长江大学 2024-05-03 CN claimed
CN-117965228-A Composite lithium-based lubricating grease and preparation method thereof 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-117946792-A Hydraulic oil composition and preparation method thereof 中国石油化工股份有限公司 2024-04-30 CN claimed
CN-117917464-A Electric automobile lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2024-04-23 CN claimed
CN-117756732-A Benzotriazine derivative, and preparation method and application thereof 中国石油化工股份有限公司 2024-03-26 CN claimed
US-20220406852-A1 ELECTRONIC APPARATUS AND METHOD OF MANUFACTURING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-22 US claimed
US-5464625-A Non-toxic methods of repelling rodents from materials susceptible to rodent consumption MONELL CHEMICAL SENSES CENTER (US) 1995-11-07 US claimed
US-5424268-A Imaging medium and process POLAROID CORPORATION (US) 1995-06-13 US claimed
WO-1992017062-A1 METHOD OF IDENTIFYING THE AVIAN REPELLANT EFFECTS OF A COMPOUND AND METHOD OF REPELLING BIRDS FROM MATERIALS SUSCEPTIBLE TO CONSUMPTION BY BIRDS MONELL CHEMICAL SENSES CENTER (US) 1992-10-15 WO claimed
EP-0065477-B1 COMPOSITE OF RUBBER AND METAL REINFORCEMENT THEREFOR THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-07-23 EP claimed
EP-0107536-B1 BENZO- AND THIENO-1,2,3-TRIAZIN-4-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1986-05-28 EP claimed
EP-0108352-B1 3-(3-IODOPROPARGYL)-BENZO-1,2,3-TRIAZIN-4-ONES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS MICROBICIDES BAYER AG (DE) 1986-04-02 EP claimed
EP-0108352-A2 3-(3-Iodopropargyl)-benzo-1,2,3-triazin-4-ones, process for their preparation and their application as microbicides BAYER AG (DE) 1984-05-16 EP claimed
US-4391318-A CONTAINS CYANURIC DERIVATIVE, FOR TIRES, BELTS AND HOSES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-07-05 US claimed
EP-0065477-A1 Composite of rubber and metal reinforcement therefor THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-11-24 EP claimed
US-4019909-A BLOWING AGENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-26 US 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 (2 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-12127426-B2 Heterocyclic compound and electronic apparatus ERCC4, ERCC1, ESD CYP1A2 241/4885KDM4E 1405/4885GAA 1841/4885
US-12532631-B2 Electronic apparatus and method of manufacturing the same SRMS, LRRK2, TEC CYP1A2 842/4885KDM4E 497/4885GAA 2963/4885

“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.