SCHEMBL15022003

SCHEMBL15022003

c1ccc2oc(Nc3nc4ccccc4o3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.78
NPC1 O15118 12/20 0.78
SMN1; SMN2 Q16637 8/20 0.78
PKM P14618 4/20 0.78
GAA P10253 4/20 0.78
NPSR1 Q6W5P4 2/20 0.78
ALDH1A1 P00352 2/20 0.78
MAPT P10636 5/20 0.66
TP53 P04637 3/20 0.60
ALOX15 P16050 2/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SCD O00767 1/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
OPRK1 P41145 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2658434 0.88 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL9911667 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL31430447 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL21066436 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL19899736 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL29236673 0.84 NPC1 (0.58) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL1163272 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL20195816 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2373205 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL28637996 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111933818-A Organic light-emitting device 长春海谱润斯科技有限公司 2020-11-13 CN disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US 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-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH RAB9A 3425/4885NPC1 1248/4885SMN1; SMN2 3766/4885

“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.