SCHEMBL2998200

SCHEMBL2998200

OCCOc1ccc(CCc2ccc(OCc3ccccc3)nn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
P4HTM Q9NXG6 1/20 0.42
LTA4H P09960 2/20 0.41
EPHX2 P34913 1/20 0.41
MCHR1 Q99705 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
CHRM1 P11229 1/20 0.39
MAOB P27338 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ACACB O00763 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3005962 0.89 LTA4H (0.51) FFAR1LTA4HEPHX2MCHR1ALDH1A1
SCHEMBL3008337 0.84 CYP4F2 (0.56) FFAR1MCHR1ALDH1A1RECQLCYP4F2
SCHEMBL3003517 0.84 MCHR1 (0.44) FFAR1LTA4HEPHX2MCHR1ALDH1A1
SCHEMBL3006973 0.82 LTA4H (0.65) LTA4HMCHR1ALDH1A1KDM4ENPSR1
SCHEMBL3006052 0.82 FFAR1 (0.39) FFAR1P4HTMLTA4HMCHR1ALDH1A1
SCHEMBL3002950 0.80 FFAR1 (0.47) FFAR1LTA4HEPHX2MCHR1ALDH1A1
SCHEMBL4591781 0.80 MCHR1 (0.52) FFAR1LTA4HEPHX2MCHR1CHRM1
SCHEMBL2997800 0.80 P4HTM (0.41) P4HTMLTA4HEPHX2MCHR1ALDH1A1
SCHEMBL3002974 0.79 CYP4F2 (0.47) FFAR1LTA4HEPHX2MCHR1ALDH1A1
SCHEMBL2996145 0.79 MCHR1 (0.44) FFAR1LTA4HEPHX2MCHR1ALDH1A1

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 FFAR1 202/4885P4HTM 1059/4885LTA4H 2623/4885

“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.