SCHEMBL9304615

SCHEMBL9304615

c1ccc(Oc2ccc(CCOc3ncnc4ccccc34)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.45
LTA4H P09960 2/20 0.44
PTGS2 P35354 1/20 0.44
SCN9A Q15858 1/20 0.41
EGFR P00533 3/20 0.41
RXFP1 Q9HBX9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NR2F2 P24468 1/20 0.38
GCK P35557 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL8541109 0.87 RAB9A (0.67) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL9383475 0.85 LMNA (0.58) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL9383480 0.84 RAB9A (0.55) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8548873 0.82 RAB9A (0.60) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8548739 0.81 RAB9A (0.69) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8545058 0.81 RAB9A (0.80) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8540692 0.81 RAB9A (0.65) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8543212 0.81 RAB9A (0.51) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8546894 0.80 LMNA (0.64) RAB9ANPC1TSHRL3MBTL1CYP1A2
SCHEMBL8546815 0.80 RAB9A (0.69) RAB9ANPC1TSHRL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072301-B2 Fungicidal pyrimidine compounds BASF SE (DE) 2015-07-07 US disclosed
US-20140371065-A1 Fungicidal Pyrimidine Compounds BASF SE (DE) 2014-12-18 US disclosed
EP-2809659-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2014-12-10 EP disclosed
WO-2013113715-A1 FUNGICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2013-08-08 WO disclosed
US-5326766-A Fungicide, nematocide, insecticide, miticide DOWELANCO 1994-07-05 US disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 WO disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 WO disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 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-20140371065-A1 Fungicidal Pyrimidine Compounds DPM1, DPYD, TYMP RAB9A 3989/4885NPC1 1515/4885TSHR 4566/4885

“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.