SCHEMBL3011586

SCHEMBL3011586

CC(c1cccc(C=O)c1)c1ccc(OCc2ccccc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 2/20 0.36
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3000996 0.87 GAA (0.43) MAOAMAOBGAARAB9AALDH1A1
SCHEMBL3007783 0.81 CYP4F2 (0.48) GAATDP1ALDH1A1BCHELMNA
SCHEMBL21922352 0.74 GAA (0.53) GAATDP1ALDH1A1LMNAHTT
SCHEMBL2996629 0.74 MAOA (0.53) MAOAMAOBGAANPC1RAB9A
SCHEMBL3003692 0.71 MAOA (0.50) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL4274920 0.69 LMNA (0.55) MAOAMAOBGAARAB9ATDP1
SCHEMBL11890529 0.69 ALDH1A1 (0.49) MAOAMAOBGAANPC1RAB9A
SCHEMBL4906689 0.68 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL510599 0.67 MAOA (0.53) MAOAMAOBNPC1RAB9AALDH1A1
SCHEMBL31624114 0.67 MAOA (0.53) MAOAMAOBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R MAOA 352/4885MAOB 218/4885GAA 892/4885

“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.