SCHEMBL1610237

SCHEMBL1610237

CC(C)(C)c1ccc2[nH]c(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 7/20 0.56
▸ NPC1 O15118 7/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ HPGD P15428 5/20 0.56
▸ POLB P06746 5/20 0.56
▸ GFER P55789 4/20 0.56
▸ GLA P06280 4/20 0.56
▸ GAA P10253 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ RXFP1 Q9HBX9 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ RECQL P46063 2/20 0.56
▸ CACNA1B Q00975 1/20 0.54
▸ APBA1 Q02410 1/20 0.54

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
SCHEMBL22452314 0.91 HDAC6 (0.64) HDAC6SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL31027920 0.91 HDAC6 (0.64) HDAC6SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL24074323 0.85 HDAC6 (0.60) HDAC6SCDTRPV1NPBWR1
SCHEMBL30343717 0.85 NPBWR1 (0.59) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
SCHEMBL6325961 0.85 NPBWR1 (0.59) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
SCHEMBL13118022 0.85 HDAC6 (0.68) HDAC6SMN1; SMN2ALDH1A1MAPTNPC1
Ammonia Solution, Strong SCHEMBL2446708 0.84 HDAC6 (0.66) HDAC6SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL25110163 0.84 HDAC6 (0.57) HDAC6ALDH1A1NPC1KDM4ERAB9A
SCHEMBL159873 0.82 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
SCHEMBL9862039 0.82 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627652-B1 PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAE WOONG PHARMA (KR) 2015-12-16 — — EP disclosed
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 — — EP disclosed
EP-2627652-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-21 — — EP disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 — — US disclosed
WO-2012050380-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-19 — — WO disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 — — US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 — — US disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 — — EP 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-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF TRPV1, HRH4, TRPV4 HDAC6 835/4885SMN1; SMN2 3882/4885ALDH1A1 333/4885

“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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