SCHEMBL17540910

SCHEMBL17540910

O=[N+]([O-])c1ccc(-c2ccc3ccccc3c2)cc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ HPRT1 P00492 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GSTP1 P09211 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL31442416 1.00 MEN1 (0.43) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL17540908 0.86 CRHBP (0.53) MEN1KMT2ACA1CA2HPRT1
SCHEMBL30955465 0.86 CRHBP (0.53) MEN1KMT2ACA1CA2HPRT1
SCHEMBL18640153 0.80 CASP6 (0.50) MEN1KMT2ANPC1RAB9ACA1
SCHEMBL2955956 0.77 CA1 (0.41) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL28659994 0.77 HPRT1 (0.44) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL17548884 0.76 CA1 (0.44) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL19325069 0.76 MEN1 (0.43) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL18553627 0.75 MAPT (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19320106 0.75 CA1 (0.42) MEN1KMT2ANPC1RAB9AESR1

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-10629819-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same DUK SAN NEOLUX CO., LTD (KR) 2020-04-21 — — US disclosed
US-10381574-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same DUK SAN NEOLUX CO., LTD. (KR) 2019-08-13 — — US disclosed
US-20190103561-A1 Compound For Organic Electronic Element, Organic Electrical Element Using Compound, And Electronic Device Comprising Same DUK SAN NEOLUX CO., LTD (KR) 2019-04-04 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 — — WO disclosed
US-9029407-B2 Aminothiazole modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-12 — — 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 (4 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-10629819-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same ORAI2, VDAC2, PIEZO1 MEN1 1271/4885KMT2A 727/4885NPC1 2710/4885
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 MEN1 1271/4885KMT2A 727/4885NPC1 2710/4885
US-20190103561-A1 Compound For Organic Electronic Element, Organic Electrical Element Using Compound, And Electronic Device Comprising Same ORAI2, VDAC2, PIEZO1 MEN1 1271/4885KMT2A 727/4885NPC1 2710/4885
US-10381574-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same ORAI2, VDAC2, PIEZO1 MEN1 1271/4885KMT2A 727/4885NPC1 2710/4885

“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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