SCHEMBL734215

SCHEMBL734215

O=P(O)(Oc1ccccc1)Oc1ccccc1.[N-]=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.61
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ANPEP P15144 2/20 0.43
LAP3 P28838 2/20 0.43
TSHR P16473 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL28118260 0.98 SRC (0.59) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL59584 0.92 SRC (0.57) SRCALDH1A1L3MBTL1TDP1POLB
Benzene SCHEMBL11142811 0.91 SRC (0.73) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL37038 0.91 SRC (0.73) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL27676341 0.91 SRC (0.73) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL23241864 0.89 SRC (0.70) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL3961989 0.89 SRC (0.70) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL11317985 0.89 SRC (0.70) SRCALDH1A1L3MBTL1TDP1POLB
Water SCHEMBL7104000 0.89 SRC (0.70) SRCALDH1A1L3MBTL1TDP1POLB
SCHEMBL9583781 0.89 SRC (0.70) SRCALDH1A1L3MBTL1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912604-A1 IMPROVED CHEMICAL PROCESS FOR PREPARING AMIDE DERIVATIVES OF ANTIBIOTIC A 40926 Biosearch Italia S.p.A. (IT) 1999-05-06 EP claimed
WO-1997040067-A1 IMPROVED CHEMICAL PROCESS FOR PREPARING AMIDE DERIVATIVES OF ANTIBIOTIC A 40926 BIOSEARCH ITALIA S.P.A. (IT) 1997-10-30 WO claimed
US-5625067-A Cyclopentane ether derivatives, processes for their production, and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US claimed
EP-0558570-B1 CYCLOPENTANE ETHER DERIVATIVES, METHODS FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 1996-01-10 EP claimed
EP-4045494-B1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE ESCO ASTER PTE LTD (SG) 2023-10-11 EP disclosed
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ESCO ASTER PTE. LTD (SG) 2023-03-02 US disclosed
WO-2022196528-A1 7-OXA-3,4-DIAZABICYCLO[4.1.0]HEPTA-4-ENE-2-ONE COMPOUND AND HERBICIDE 日本曹達株式会社 2022-09-22 WO disclosed
EP-4045494-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE Esco Aster Pte. Ltd. (SG) 2022-08-24 EP disclosed
WO-2022161418-A1 PYRAZOLAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳晶泰科技有限公司 2022-08-04 WO disclosed
WO-2022143864-A1 TRICYCLIC COMPOUND AND USE THEREOF 江苏先声药业有限公司 2022-07-07 WO disclosed
WO-2021115457-A9 PYRAZOLO[1,5-A]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳众格生物科技有限公司 2022-05-19 WO disclosed
WO-2021074138-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE ESCO ASTER PTE. LTD. (SG) 2021-04-22 WO disclosed
EP-0525499-A1 Amide derivatives of antibiotic A 40926 GRUPPO LEPETIT S.p.A. (IT) 1993-02-03 EP disclosed
EP-0340245-B1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.p.A. (IT) 1992-08-19 EP disclosed
EP-0465481-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN. LEPETIT SPA (IT) 1992-01-15 EP disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed
WO-1990011300-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1990-10-04 WO disclosed
EP-0340245-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS. LEPETIT SPA (IT) 1989-11-08 EP disclosed
WO-1988006600-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.P.A. (IT) 1988-09-07 WO disclosed
US-4595677-A Substituted tetrapeptides CIBA-GEIGY CORPORATION (US) 1986-06-17 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 (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-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ABL1, ROS1, ABL2 SRC 77/4885ALDH1A1 2173/4885L3MBTL1 1852/4885

“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.