SCHEMBL2993288

SCHEMBL2993288

OCCOc1ccc(CCc2ccc(Oc3ccccc3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
LTA4H P09960 3/20 0.43
PPARG P37231 2/20 0.41
GAA P10253 3/20 0.40
BCAT2 O15382 1/20 0.40
EPHX2 P34913 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.38

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 0.86 LTA4H (0.51) MCHR1CHRM1ALDH1A1RECQLLTA4H
SCHEMBL4591505 0.86 MCHR1 (0.67) MCHR1CHRM1HTR2AALDH1A1RECQL
SCHEMBL2998965 0.81 MCHR1 (0.47) MCHR1CHRM1HTR2ALTA4HPPARG
SCHEMBL3009333 0.81 LTA4H (0.65) MCHR1CHRM1HTR2ALTA4H
SCHEMBL3828950 0.79 ACACB (0.44) MCHR1CHRM1HTR2ALTA4HPPARG
SCHEMBL8408714 0.77 ALDH1A1 (0.69) ALDH1A1RECQLLTA4HGAAEPHX2
SCHEMBL3008337 0.77 CYP4F2 (0.56) MCHR1ALDH1A1RECQLFFAR1
SCHEMBL2998200 0.75 FFAR1 (0.43) MCHR1CHRM1ALDH1A1RECQLLTA4H
SCHEMBL2993267 0.74 ACACB (0.54) MCHR1CHRM1ALDH1A1RECQLGAA
SCHEMBL2296317 0.73 ALDH1A1 (0.83) ALDH1A1RECQLLTA4HGAAFFAR4

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 MCHR1 1/4885CHRM1 74/4885HTR2A 71/4885

“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.