SCHEMBL3570150

SCHEMBL3570150

N#Cc1ccc(Oc2ccc(CBr)cc2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
MAOA P21397 4/20 0.54
CYP19A1 P11511 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
AR P10275 5/20 0.44
PDE4B Q07343 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
SCHEMBL3567280 0.88 MAOB (0.49) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL10877056 0.86 MAOB (0.53) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL1377229 0.85 CYP19A1 (0.62) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL9472016 0.85 CYP19A1 (0.62) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL14307618 0.84 ALDH1A1 (0.46) MAOBMAOAALDH1A1AR
SCHEMBL29390509 0.83 CYP19A1 (0.65) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL4581525 0.83 CYP19A1 (0.65) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL3568078 0.83 LTA4H (0.52) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL9747888 0.83 MAOB (0.50) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL12149014 0.80 MAOB (0.63) MAOBMAOACYP19A1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603918-B1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF MOLTENI & C (IT) 2008-07-30 EP claimed
EP-1603918-A1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A (IT) 2005-12-14 EP claimed
WO-2004081014-A1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A. (IT) 2004-09-23 WO claimed
US-7842682-B2 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof L. Molteni & C. Dei Fratelli Alitti (IT) 2010-11-30 US disclosed
EP-1603918-B1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF MOLTENI & C (IT) 2008-07-30 EP disclosed
CN-100374442-C Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof MOLTENI & C DEI FLII ALITTI CO (IT) 2008-03-12 CN disclosed
US-20080009464-A9 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2008-01-10 US disclosed
US-20060135478-A1 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-06-22 US disclosed
EP-1603918-A1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A (IT) 2005-12-14 EP disclosed
WO-2004081014-A1 BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A. (IT) 2004-09-23 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 (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-20060135478-A1 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof PBRM1, BOD1L1, PCBP1 MAOB 3244/4885MAOA 4472/4885CYP19A1 619/4885
US-20080009464-A9 Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof PBRM1, BOD1L1, PCBP1 MAOB 3244/4885MAOA 4472/4885CYP19A1 619/4885

“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.