SCHEMBL784516

SCHEMBL784516

COc1ccc(COc2cccnc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
RXRA P19793 2/20 0.52
KDM4E B2RXH2 2/20 0.50
ABCB1 P08183 1/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 1/20 0.50
FFAR1 O14842 2/20 0.49
PLA2G4B P0C869 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL30893766 0.89 NPC1 (0.62) RAB9ANPC1SMN1; SMN2POLBRXRA
SCHEMBL27200112 0.89 NPC1 (0.62) RAB9ANPC1SMN1; SMN2POLBRXRA
SCHEMBL8882537 0.88 MAPT (0.52) RAB9ANPC1SMN1; SMN2RXRAKDM4E
SCHEMBL784068 0.88 RAB9A (0.60) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL8883654 0.86 RXRA (0.50) RAB9ANPC1RXRAKDM4EATM
SCHEMBL8785130 0.85 MRGPRX4 (0.55) RAB9ASMN1; SMN2ABCB1TP53PKM
SCHEMBL30848623 0.85 LTA4H (0.58) RXRAKDM4EALDH1A1PPIARXRB
SCHEMBL2426791 0.85 LTA4H (0.58) RXRAKDM4EALDH1A1PPIARXRB
SCHEMBL8883987 0.84 KMT2A (0.56) RAB9ANPC1RXRAPPIARXRB
Hydrochloric Acid SCHEMBL10705444 0.84 LTA4H (0.57) RXRAKDM4EALDH1A1PPIARXRB

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-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action BASF SE (DE) 2012-03-22 US disclosed
EP-2379503-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-26 EP disclosed
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-13 US disclosed
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
WO-2010139658-A1 SUBSTITUTED PYRIDOPYRAZINES WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 WO disclosed
WO-2010069802-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2010-06-24 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 (2 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-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action PLPBP, PNPO, PFAS RAB9A 3862/4885NPC1 4846/4885SMN1; SMN2 4015/4885
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION DDT, KHK, HK1 RAB9A 3291/4885NPC1 4587/4885SMN1; SMN2 4548/4885

“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.