SCHEMBL3002842

SCHEMBL3002842

O=Cc1ccc(C#Cc2ccc(OCc3ccccc3)nn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
RAB9A P51151 2/20 0.35
AMY1A P0DUB6 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
SCHEMBL3006373 0.89 ACACB (0.41) MAOAMAOBLMNAHTTPKM
SCHEMBL3003692 0.83 MAOA (0.50) MAOAMAOBPKMALDH1A1CCNB2
SCHEMBL3003690 0.81 CCNB2 (0.41) MAOAMAOBLMNAHTTPKM
SCHEMBL510599 0.80 MAOA (0.53) MAOAMAOBPKMALDH1A1CCNB2
SCHEMBL31624114 0.80 MAOA (0.53) MAOAMAOBPKMALDH1A1CCNB2
SCHEMBL3006684 0.78 MAOA (0.43) MAOAMAOBLMNAHTTPKM
SCHEMBL2998056 0.78 FFAR1 (0.39) MAOAMAOBLMNAALDH1A1KDM4E
SCHEMBL2997800 0.77 P4HTM (0.41) MAOBLMNAHTTALDH1A1GAA
SCHEMBL3004111 0.76 NPC1 (0.42) LMNAHTTPKMALDH1A1GAA
SCHEMBL3001550 0.74 LMNA (0.44) LMNAHTTPKMALDH1A1GAA

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 218/4885LMNA 3552/4885

“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.