SCHEMBL3596431

SCHEMBL3596431

Cc1cc(F)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
RAB9A P51151 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
GFER P55789 1/20 0.56
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT1 Q99873 1/20 0.52
HDAC2 Q92769 1/20 0.52
PLK1 P53350 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL92222 0.86 RAB9A (0.65) TP53RAB9AKMT2AMEN1GFER
SCHEMBL10274012 0.84 KMT2A (0.61) TP53RAB9AKMT2AMEN1GFER
SCHEMBL3182095 0.83 ALDH1A1 (0.67) TP53RAB9AKMT2AMEN1GFER
SCHEMBL22820217 0.82 LMNA (0.56) TP53RAB9AKMT2AMEN1NPC1
SCHEMBL92237 0.81 KMT2A (0.64) TP53RAB9AKMT2AMEN1GFER
SCHEMBL28491138 0.81 NPC1 (0.55) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL6896273 0.81 LMNA (0.45) TP53RAB9AKMT2AMEN1GFER
SCHEMBL22820022 0.80 MEN1 (0.54) TP53RAB9AKMT2AMEN1NPC1
SCHEMBL3595864 0.80 VCP (0.50) TP53RAB9AKMT2AMEN1GFER
SCHEMBL92242 0.78 RAB9A (0.64) TP53RAB9AKMT2AMEN1GFER

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 TP53 3360/4885RAB9A 2718/4885KMT2A 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.