SCHEMBL2996516

SCHEMBL2996516

O=Cc1ccc(CCc2ccc(OCc3cccs3)nn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
RAB9A P51151 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
OPRK1 P41145 2/20 0.31
TNFRSF1A P19438 1/20 0.31
MAPT P10636 1/20 0.31
F2 P00734 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31

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 0.82 MAOA (0.43) FFAR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL3002816 0.81 KDM4E (0.33) FFAR1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3008629 0.79 MCHR1 (0.43) ALDH1A1L3MBTL1
SCHEMBL3002701 0.79 ALDH1A1 (0.58) HPGDKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL3005540 0.78 MAOB (0.45) FFAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL3006647 0.76 MAOB (0.51) FFAR1RAB9A
SCHEMBL13233355 0.75 FFAR1 (0.30) FFAR1
SCHEMBL13233598 0.75 FFAR1 (0.30) FFAR1
SCHEMBL1299736 0.72 HPGD (0.60) HPGDKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL3011554 0.72 ACACB (0.40) HPGDKDM4EALDH1A1SMN1; SMN2MAPT

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 4 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
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 HPGD 1286/4885FFAR1 202/4885KDM4E 1410/4885

“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.