SCHEMBL15413801

SCHEMBL15413801

O=[N+]([O-])c1ccccc1-c1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.56
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ MAPT P10636 7/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ MMP2 P08253 4/20 0.54
▸ MMP9 P14780 4/20 0.54
▸ MMP8 P22894 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ GUSB P08236 2/20 0.51
▸ CHEK2 O96017 1/20 0.48
▸ HTT P42858 5/20 0.48
▸ MMP13 P45452 3/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ SENP8 Q96LD8 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ SENP6 Q9GZR1 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MGAM O43451 1/20 0.46

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
SCHEMBL4670013 0.82 NPBWR1 (0.56) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28475608 0.81 RAB9A (0.68) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2308775 0.80 NPBWR1 (0.79) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL31154073 0.78 GUSB (0.55) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL22649095 0.77 NPC1 (0.67) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL20982681 0.76 NPC1 (0.73) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL31679095 0.76 GUSB (0.68) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2872555 0.76 GUSB (0.68) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30336425 0.76 GUSB (0.68) NPBWR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL15477928 0.76 CYP19A1 (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 — — US disclosed
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 — — US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 — — US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 — — US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 — — US disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 — — WO disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 — — 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-10236451-B2 Compound and organic electroluminescent device comprising the same VDAC1, PIEZO1, SLCO4C1 NPBWR1 4620/4885RAB9A 2646/4885NPC1 1690/4885
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 NPBWR1 4254/4885RAB9A 2636/4885NPC1 2437/4885

“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.

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