SCHEMBL3599534

SCHEMBL3599534

COc1cc(F)cc(F)c1CNc1ccc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PIK3CA P42336 1/20 0.37
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 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
SCHEMBL3600179 0.78 MAPT (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3605068 0.76 ROCK2 (0.47) ALDH1A1LMNASMN1; SMN2MAPK1CYP1A2
SCHEMBL5523242 0.73 KMT2A (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3409542 0.71 MAPT (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20169248 0.69 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL880841 0.68 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL16257102 0.68 TAAR1 (0.38) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL3717227 0.67 PDE4B (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL15544979 0.67 TAAR1 (0.41) LMNAMAPK1CYP1A2CYP3A4HTT
SCHEMBL19743856 0.67 CD274 (0.49) KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 WO claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 MAPT 3054/4885ALDH1A1 558/4885KMT2A 3712/4885

“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.