SCHEMBL3596432

SCHEMBL3596432

Cc1cc(F)ccc1NCc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CD38 P28907 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MC5R P33032 1/20 0.41

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
SCHEMBL3595867 0.79 MAPT (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12670825 0.74 CA12 (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5476110 0.74 MEN1 (0.54) MAPTMAPK1MEN1KMT2ACD38
SCHEMBL19664004 0.72 ALDH1A1 (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4342262 0.71 HPGD (0.47) MAPTALDH1A1MEN1KMT2ACD38
SCHEMBL4343469 0.71 MEN1 (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4342315 0.71 HPGD (0.52) MAPTALDH1A1MEN1KMT2ACD38
SCHEMBL26002147 0.70 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ACD38
SCHEMBL6775761 0.70 EGFR (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15444359 0.70 MEN1 (0.56) MAPTMEN1KMT2ACD38SMN1; SMN2

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 558/4885MAPK1 614/4885

“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.