SCHEMBL6605793

SCHEMBL6605793

C=C(C(=O)O)n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
FBP1 P09467 1/20 0.42
ELANE P08246 3/20 0.41
PDE4B Q07343 2/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL128493 0.77
SCHEMBL25920064 0.77
SCHEMBL18558591 0.76 NOS1 (0.45) NOS1FBP1ELANE
Hydrochloric Acid SCHEMBL11561704 0.75
SCHEMBL17853344 0.74 ELANE (0.44) NOS1FBP1ELANEPDE4BF2
SCHEMBL14385408 0.74 NOS1 (0.52) NOS1FBP1ELANEPDE4BF2
SCHEMBL5713389 0.74 NOS1 (0.52) NOS1FBP1ELANEF2PLAU
SCHEMBL1021803 0.74 NOS1 (0.52) NOS1FBP1ELANEPDE4BF2
Water SCHEMBL28206470 0.73 NOS1 (0.46) NOS1FBP1ELANEPDE4BF2
SCHEMBL4669624 0.72 ELANE (0.41) NOS1FBP1ELANEMAPTALDH1A1

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
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP claimed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US claimed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US claimed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 EP claimed
EP-4506343-A1 HETEROARYL DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2025-02-12 EP disclosed
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF VORONOI INC. (KR) 2024-11-21 US disclosed
CN-118946557-A Heteroaryl derivatives and uses thereof 株式会社沃若诺伊 2024-11-12 CN disclosed
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 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 (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-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 NOS1 978/4885FBP1 3785/4885ELANE 1165/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 NOS1 554/4885FBP1 3849/4885ELANE 1393/4885
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF ERBB2, ERBB3, EGFR NOS1 3613/4885FBP1 1858/4885ELANE 3667/4885

“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.