SCHEMBL1130729

SCHEMBL1130729

C=C1CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ PDGFRA P16234 1/20 0.37
▸ FER P16591 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ BRPF1 P55201 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ CYBB P04839 1/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL30555345 1.00 NOS2 (0.41) NOS2HSD17B10ALOX15JAK2PDGFRA
Ethyne SCHEMBL28619780 0.96 NOS2 (0.38) NOS2HSD17B10ALOX15JAK2PDGFRA
SCHEMBL31696765 0.83 MAOA (0.45) NOS2HSD17B10ALOX15JAK2PDGFRA
SCHEMBL11802702 0.77 BRD4 (0.44) NOS2HSD17B10ALOX15PDGFRAFER
SCHEMBL30118299 0.75 NOS2 (0.43) NOS2HSD17B10ALOX15JAK2PDGFRA
SCHEMBL2294908 0.74 BCHE (0.43) NOS2HSD17B10ALOX15PDGFRAFER
Dihydrophenanthridine SCHEMBL29791568 0.71 CA12 (0.56) NOS2HSD17B10ALOX15JAK2DYRK1B
SCHEMBL68595 0.71 CA12 (0.45) NOS2HSD17B10ALOX15JAK2PDGFRA
SCHEMBL4743689 0.71 ALDH1A1 (0.41) NOS2HSD17B10ALOX15JAK2PDGFRA
Dihydrophenanthridine SCHEMBL2087461 0.71 CA12 (0.56) NOS2HSD17B10ALOX15JAK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303930-A1 Quaternary ammonium salt for use as a cationic surfactant GREENGREDIENTS S.R.L. (IT) 2023-09-28 — — US claimed
EP-4196461-A1 QUATERNARY AMMONIUM SALT FOR USE AS A CATIONIC SURFACTANT Greengredients S.r.l. (IT) 2023-06-21 — — EP claimed
US-20220331217-A1 Hair restructuring association comprising a quaternary ammonium salt and a sulpho-derivative of vegetable fatty acids GREENGREDIENTS S.R.L. (IT) 2022-10-20 — — US claimed
CN-113321675-B Chiral 3-methylene indoline compound and preparation method thereof 西华师范大学 2022-07-01 — — CN claimed
WO-2022038477-A1 QUATERNARY AMMONIUM SALT FOR USE AS A CATIONIC SURFACTANT SOCRI S.P.A. (IT) 2022-02-24 — — WO claimed
CN-113321675-A Chiral 3-methylene indoline compound and preparation method thereof 西华师范大学 2021-08-31 — — CN claimed
WO-2004094591-A2 THREE-DIMENSIONAL STRUCTURES OF HDAC9 AND CABIN1 AND COMPOUND STRUCTURES AND METHODS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2004-11-04 — — WO claimed
US-5210202-A Chiral phosphorous compounds, a process for their manufacture and their application to the catalysis of enantioselective synthesis reactions SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1993-05-11 — — US claimed
US-5128488-A Phosphorus-metal complex catalyst SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1992-07-07 — — US claimed
EP-4196461-B1 QUATERNARY AMMONIUM SALT FOR USE AS A CATIONIC SURFACTANT GREENGREDIENTS S R L (IT) 2025-08-20 — — EP disclosed
EP-4074302-B1 HAIR RESTRUCTURING ASSOCIATION COMPRISING A QUATERNARY AMMONIUM SALT AND A SULPHO-DERIVATIVE OF VEGETABLE FATTY ACIDS GREENGREDIENTS S R L (IT) 2025-08-20 — — EP disclosed
US-20230303930-A1 Quaternary ammonium salt for use as a cationic surfactant GREENGREDIENTS S.R.L. (IT) 2023-09-28 — — US disclosed
US-20230303930-A1 Quaternary ammonium salt for use as a cationic surfactant GREENGREDIENTS S.R.L. (IT) 2023-09-28 — — US disclosed
EP-4196461-A1 QUATERNARY AMMONIUM SALT FOR USE AS A CATIONIC SURFACTANT Greengredients S.r.l. (IT) 2023-06-21 — — EP disclosed
US-5210202-A Chiral phosphorous compounds, a process for their manufacture and their application to the catalysis of enantioselective synthesis reactions SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1993-05-11 — — US disclosed
US-5128488-A Phosphorus-metal complex catalyst SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1992-07-07 — — US disclosed
US-5099077-A Dihydrocarbylphosphioxy substituted groups with amine or phosphinoamines as ligands SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1992-03-24 — — US disclosed
US-4877908-A Chiral phosphorus compounds, a process for their manufacture and their application to the catalysis of enantioselective synthesis reactions NORSOLOR (FR) 1989-10-31 — — US disclosed
EP-0000036-A1 Fluorinated alkylamines and process for preparing same MERCK & CO. INC. (US) 1978-12-20 — — EP disclosed
US-4043979-A Polymer-multiheteromacrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1977-08-23 — — 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 (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-20220331217-A1 Hair restructuring association comprising a quaternary ammonium salt and a sulpho-derivative of vegetable fatty acids IDH2, SLC16A7, ME3 NOS2 2539/4885HSD17B10 311/4885ALOX15 1062/4885
US-20230303930-A1 Quaternary ammonium salt for use as a cationic surfactant ASS1, SLC16A7, SLC16A1 NOS2 1954/4885HSD17B10 300/4885ALOX15 900/4885

“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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