SCHEMBL6728354

SCHEMBL6728354

On1cc(-c2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.52
▸ BCHE P06276 1/20 0.49
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ GGPS1 O95749 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ PTGS1 P23219 1/20 0.42

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
Water SCHEMBL27717809 0.98 CYP19A1 (0.50) CYP19A1BCHENPC1RAB9AMEN1
SCHEMBL9530751 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9AKMT2A
SCHEMBL28316960 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9AMEN1
SCHEMBL5326554 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9AMEN1
SCHEMBL16754127 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9AMEN1
SCHEMBL2687071 0.74 KMT2A (0.52) CYP19A1BCHENPC1RAB9AKMT2A
SCHEMBL16090317 0.74 CYP19A1 (0.52) CYP19A1BCHENPC1RAB9AMEN1
SCHEMBL27824322 0.74 DAGLA (0.54) CYP19A1MEN1KMT2ACASP3SENP8
SCHEMBL1119554 0.72 PTGS2 (0.66) CYP19A1BCHEPTGS2CA12CA1
SCHEMBL16206235 0.72 CYP19A1 (0.70) CYP19A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907279-A Synthesis method of N-oxyphenyltriazole 金华职业技术学院 2022-08-16 — — CN claimed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 — — CN claimed
CN-111871457-A Catalytic liquid for straw biomass and continuous treatment process 南京工业大学 2020-11-03 — — CN claimed
US-6677483-B2 DISSOLVING DIETHYLENETRIAMINEPENTAACETIC- BISANHYDRIDE OF FORMULA IN DIMETHYL SULFOXIDE OR IN DIMETHYLFORMAMIDE OR IN A MIXTURE; ADDING SOLUBILIZER, AN AUXILIARY BASE AND A MONOAMINE OR DIAMINE, HEATING SCHERING AG (DE) 2004-01-13 — — US claimed
EP-1353897-A1 METHOD FOR PRODUCING DTPA MONOAMIDES SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-22 — — EP claimed
US-20020155065-A1 Process for the production of monoamides of DTPA SCHERING AG (DE) 2002-10-24 — — US claimed
WO-2002059076-A1 METHOD FOR PRODUCING DTPA MONOAMIDES SCHERING AKTIENGESELLSCHAFT (DE) 2002-08-01 — — WO claimed
CN-114907279-A Synthesis method of N-oxyphenyltriazole 金华职业技术学院 2022-08-16 — — CN disclosed
CN-114907279-A Synthesis method of N-oxyphenyltriazole 金华职业技术学院 2022-08-16 — — CN disclosed
CN-114907279-A Synthesis method of N-oxyphenyltriazole 金华职业技术学院 2022-08-16 — — CN disclosed
CN-111875668-B Synthetic method of cyclic dipeptide containing glutamine or asparagine 陕西慧康生物科技有限责任公司 2022-05-27 — — CN disclosed
CN-109311825-B 2,4, 6-trisubstituted s-triazine compound and preparation method and application thereof 南京世其医药科技有限公司 2022-03-22 — — CN disclosed
CN-109666063-B Maltose functionalized nano composite material based on ion complementary peptide self-assembly and preparation method and application thereof 陕西师范大学 2022-02-25 — — CN disclosed
CN-1171105-A Use of dioxomorpholines for combating endoparasites, dioxomorpholines and process for their preparation BAYER AG (DE) 1998-01-21 — — CN disclosed
US-5672585-A HYDROPHOBIC AND CATIONIC AMINO ACID-CONTAINING CYCLIC (POLY)PEPTIDES HAVING HIGH AFFINITY FOR GLYCOPROTEIN IIB/IIIA RECEPTORS TO INHIBIT PLATELET AGGREGATION WITHOUT PROLONGED BLEEDING LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-09-30 — — US disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 — — CN disclosed
EP-0705274-A1 METHOD AND COMPOSITION FOR TREATING THROMBOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1996-04-10 — — EP disclosed
CN-1106811-A Piperidines and piperazines MERCK PATENG GES MIT BESCHRAEN (DE) 1995-08-16 — — CN disclosed
WO-1995000544-A1 METHOD AND COMPOSITION FOR TREATING THROMBOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-01-05 — — WO disclosed
EP-0410767-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1991-01-30 — — 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 (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-20020155065-A1 Process for the production of monoamides of DTPA NAAA, PAM, DNPEP CYP19A1 2094/4885BCHE 292/4885NPC1 2994/4885

“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.

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