SCHEMBL789979

SCHEMBL789979

CCN(C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
MAPK1 P28482 2/20 0.53
GALR3 O60755 1/20 0.53
HTT P42858 3/20 0.51
ALDH1A1 P00352 4/20 0.45
THRB P10828 1/20 0.45
MLNR O43193 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 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
SCHEMBL790481 0.91 RAB9A (0.52) RAB9AMAPK1GALR3HTTMLNR
SCHEMBL791415 0.89 HTT (0.54) RAB9AHTTALDH1A1MLNRKDM4E
SCHEMBL791845 0.89 HTT (0.54) RAB9AHTTALDH1A1MLNRKDM4E
SCHEMBL789621 0.88 HTT (0.53) RAB9AMAPK1GALR3HTTALDH1A1
SCHEMBL791898 0.88 HTT (0.53) HTTMLNRMAPTNPSR1CYP3A4
SCHEMBL791781 0.87 HTT (0.50) RAB9AMAPK1GALR3HTTMLNR
SCHEMBL790921 0.87 RAB9A (0.59) RAB9AMAPK1GALR3HTTALDH1A1
SCHEMBL13095772 0.86 HTT (0.51) RAB9AMAPK1GALR3HTTMLNR
SCHEMBL15093128 0.86 HTT (0.53) RAB9AMAPK1GALR3HTTMLNR
SCHEMBL12978101 0.85 HTT (0.50) RAB9AMAPK1GALR3HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C RAB9A 1112/4885MAPK1 1896/4885GALR3 579/4885

“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.