SCHEMBL222527

SCHEMBL222527

O=[C]c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
KMT2A Q03164 1/20 0.50
AOC3 Q16853 1/20 0.50
PLAUR Q03405 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL2162639 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL31677104 0.79 PSMB8 (0.58) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL244929 0.79 PSMB8 (0.58) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL3081165 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL718646 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
Lithium SCHEMBL15812806 0.78 PSMB8 (0.56) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL3147724 0.75 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9APKM
SCHEMBL6209371 0.75 TRPV1 (0.51) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL17137745 0.75 SRC (0.44) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL20448748 0.73 PSMB8 (0.70) ALDH1A1KDM4ENPC1RAB9ATP53

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 1425 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11805697-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-31 US claimed
US-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US claimed
US-11639354-B2 Heterocyclic compound FIMECS, INC. (JP) 2023-05-02 US claimed
US-20230066315-A1 COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY LLC 2023-03-02 US claimed
US-20230055036-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-02-23 US claimed
CN-115433203-A Amine fluorinated curcumenol derivative compound and application and preparation method thereof 华东理工大学 2022-12-06 CN claimed
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-06-02 US claimed
US-11254670-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2022-02-22 US claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US claimed
EP-0265495-A4 BONDED PHASE CHROMATOGRAPHIC SUPPORTS. ANALYTICHEM INT INC (US) 1988-11-23 EP claimed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US claimed
EP-0265495-A1 BONDED PHASE CHROMATOGRAPHIC SUPPORTS ANALYTICHEM INTERNATIONAL, INC. (US) 1988-05-04 EP claimed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US claimed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US claimed
WO-1987006586-A1 BONDED PHASE CHROMATOGRAPHIC SUPPORTS ANALYTICHEM INTERNATIONAL, INC. (US) 1987-11-05 WO claimed
US-4591377-A Herbicidal esters of 2-bromo-4-methylimidazole-5-carboxylic acid STAUFFER CHEMICAL COMPANY (US) 1986-05-27 US claimed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 US claimed
US-4007174-A Cephalosporin compounds GLAXO LABORATORIES LIMITED (EN) 1977-02-08 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 (8 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-20230242529-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 ALDH1A1 2510/4885KDM4E 2577/4885NPC1 2963/4885
US-20230055036-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA ALDH1A1 89/4885KDM4E 1377/4885NPC1 698/4885
US-11254670-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 ALDH1A1 1543/4885KDM4E 3184/4885NPC1 2384/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD ALDH1A1 4859/4885KDM4E 4142/4885NPC1 2542/4885
US-20230066315-A1 COMPOUNDS AND USES THEREOF ADORA2A, GRK2, GRK4 ALDH1A1 1925/4885KDM4E 3737/4885NPC1 2675/4885
US-11805697-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SLC18A2, SLC18A1, MAOA ALDH1A1 89/4885KDM4E 1377/4885NPC1 698/4885
US-11639354-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 ALDH1A1 2510/4885KDM4E 2577/4885NPC1 2963/4885
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ALDH1A1 1543/4885KDM4E 3184/4885NPC1 2384/4885

“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.