SCHEMBL3622575

SCHEMBL3622575

O=C1OCc2ccccc2/C1=N/O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.64
MAOB P27338 2/20 0.64
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TYMS P04818 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 5/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
AKR1B1 P15121 1/20 0.40
TBXAS1 P24557 1/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3622578 1.00 MAOA (0.64) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL1366362 0.83 KMT2A (0.48) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL1366359 0.83 KMT2A (0.48) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL15368900 0.81 MAOA (0.46) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL11522370 0.79 MAOA (1.00) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL6353583 0.79 MAOA (1.00) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL22284 0.79 MAOA (1.00) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL29448271 0.79 MAOA (1.00) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL6903786 0.79 MAOA (1.00) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL3628521 0.79 MAOA (0.56) MAOAMAOBALDH1A1HPGDCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393775-B1 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2014-06-25 EP disclosed
US-8575366-B2 Method for producing 2-halogenomethylphenyl acetic acid derivatives BASF SE (DE) 2013-11-05 US disclosed
EP-2393775-A2 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2011-12-14 EP disclosed
US-20110295022-A1 Method for producing 2-halogenomethylphenyl acetic acid derivatives BASE SE (DE) 2011-12-01 US disclosed
WO-2010089267-A2 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2010-08-12 WO disclosed
US-6465457-B1 CONTROLLING PATHOGENS ON PLANTS OR SEEDS ZENECA LIMITED (GB) 2002-10-15 US disclosed
EP-0711751-B1 Process for the preparation of intermediates for oxime ether- or 2-phenyl-3-methyl propenoate-fungicides ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5939563-A FUNGICIDES ZENECA LIMITED (GB) 1999-08-17 US disclosed
US-5777162-A Intermediates for the preparation of fungicides ZENECA LIMITED (GB) 1998-07-07 US disclosed
US-5585513-A CHEMICAL INTERMEDIATES ZENECA LIMITED (GB) 1996-12-17 US disclosed
EP-0711751-A1 Process for the preparation of intermediates for oxime ether- or 2-phenyl-3-methyl propenoate-fungicides ZENECA LIMITED (GB) 1996-05-15 EP disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO 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-20110295022-A1 Method for producing 2-halogenomethylphenyl acetic acid derivatives HACL2, AKR7A2, ALAD MAOA 237/4885MAOB 512/4885ALDH1A1 29/4885

“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.