SCHEMBL2996629

SCHEMBL2996629

O=Cc1cccc(CCc2ccc(OCc3ccccc3)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
MAOB P27338 7/20 0.53
FFAR1 O14842 1/20 0.46
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3001000 0.87 MAOA (0.43) MAOAMAOBFFAR1CCNB2CDK1
SCHEMBL3006684 0.87 MAOA (0.43) MAOAMAOBFFAR1CCNB2CDK1
SCHEMBL3007785 0.81 CYP4F2 (0.55) FFAR1TDP1ALDH1A1PKMMCHR1
SCHEMBL3006647 0.79 MAOB (0.51) MAOAMAOBFFAR1RAB9A
SCHEMBL4591138 0.78 ALDH1A1 (0.44) MAOAMAOBFFAR1RAB9AALDH1A1
SCHEMBL2998944 0.76 FFAR1 (0.45) MAOBFFAR1NPC1RAB9AALDH1A1
SCHEMBL3005540 0.76 MAOB (0.45) MAOAMAOBFFAR1RAB9AALDH1A1
SCHEMBL3008337 0.76 CYP4F2 (0.56) FFAR1ALDH1A1MCHR1CYP4F2CYP4A11
SCHEMBL3002950 0.76 FFAR1 (0.47) FFAR1ALDH1A1PKMMCHR1LMNA
SCHEMBL3004268 0.75 MCHR1 (0.46) FFAR1ALDH1A1PKMMCHR1LMNA

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 5 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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
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 218/4885FFAR1 202/4885

“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.