SCHEMBL3043828

SCHEMBL3043828

O=c1cccnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
S1PR4 O95977 1/20 0.43
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR1 P21453 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4787441 0.88 CA12 (0.58) CA12CA1CA2CA9POLB
SCHEMBL15105004 0.85 CA12 (0.59) CA12CA1CA2CA9POLB
SCHEMBL29151066 0.82 CA1 (0.60) CA12CA1CA2CA9POLB
SCHEMBL14955293 0.82 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL29151055 0.82 CA1 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL4670546 0.82 CA12 (0.65) CA12CA1CA2CA9POLB
SCHEMBL30745149 0.82 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL29151131 0.79 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL29488646 0.79 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL4114526 0.77 CA12 (0.55) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US claimed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US claimed
EP-1034166-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AG (DE) 2003-05-02 EP claimed
US-6225313-B1 USE AS HERBICIDES AND FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-01 US claimed
EP-1034166-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 2000-09-13 EP claimed
WO-1999014201-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 1999-03-25 WO claimed
US-4941911-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1990-07-17 US claimed
EP-0063866-B1 QUINOLIN-3-YLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1987-12-09 EP claimed
EP-0029319-B1 QUINOLINYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1986-01-15 EP claimed
EP-0060607-B1 2-(2-HALO-4-(6-HALOQUINOXALIN-2-YLOXY)PHENOXY)PROPIONATES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-08-28 EP claimed
EP-0004414-B1 MIXTURES OF HERBICIDAL PYRIDYLOXYPHENOXYPROPANOIC ACID DERIVATIVES WITH OTHER HERBICIDES, AND PROCESSES OF KILLING UNWANTED PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-24 EP claimed
EP-0023785-B1 QUINOXALINYLOXYPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-04-03 EP claimed
EP-0004414-A1 Mixtures of herbicidal pyridyloxyphenoxypropanoic acid derivatives with other herbicides, and processes of killing unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-03 EP claimed
EP-4245756-B1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES INC (US) 2024-10-09 EP disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
EP-3416956-B1 METHYLAMINE DERIVATIVES AS LYSYL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-04-10 EP disclosed
US-4189578-A CHEMICAL INTERMEDIATES FOR HYPOTENSIVE AGENTS SMITHKLINE CORPORATION (US) 1980-02-19 US disclosed
EP-0004414-A1 Mixtures of herbicidal pyridyloxyphenoxypropanoic acid derivatives with other herbicides, and processes of killing unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-03 EP disclosed
US-4152517-A CYCLIZATION WITH HYDRAZINE SMITHKLINE CORPORATION (US) 1979-05-01 US disclosed
US-3967952-A HERBICIDES ELI LILLY AND COMPANY (US) 1976-07-06 US 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3363/4885CA1 1759/4885CA2 389/4885
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 CA12 3176/4885CA1 2008/4885CA2 1113/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3265/4885CA1 1714/4885CA2 277/4885

“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.