SCHEMBL1815489

SCHEMBL1815489

COC(=O)c1cc(O)c2cccc(Br)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
LCK P06239 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTGER4 P35408 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL1809520 0.84 ALOX15 (0.47) MAPTGAACYP1A2RECQLSMN1; SMN2
SCHEMBL20604728 0.84 NQO2 (0.47) MAPTGAACYP1A2RECQLSMN1; SMN2
SCHEMBL1401134 0.84 MAPT (0.45) MAPTGAASMN1; SMN2LCKKDM4E
SCHEMBL2222961 0.83 ADORA2A (0.47) MAPTGAACYP1A2RECQLLCK
SCHEMBL8292463 0.83 LCK (0.42) MAPTGAACYP1A2RECQLLCK
SCHEMBL561666 0.83 PDE10A (0.47) MAPTGAACYP1A2RECQLLCK
SCHEMBL6080401 0.83 NQO2 (0.47) MAPTGAACYP1A2RECQLLCK
SCHEMBL6080750 0.82 KDM4E (0.46) MAPTGAAKDM4E
SCHEMBL561823 0.81 L3MBTL1 (0.43) MAPTGAACYP1A2RECQLLCK
SCHEMBL6080192 0.81 LCK (0.40) MAPTGAACYP1A2RECQLLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
US-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
CN-101238132-A Spirochroman-4-ones as acetyl-CoA carboxylase (ACC) inhibitors MERCK & CO INC (US) 2008-08-06 CN disclosed
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
WO-2007011811-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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 (3 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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 MAPT 2098/4885GAA 944/4885CYP1A2 344/4885
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MAPT 1575/4885GAA 589/4885CYP1A2 117/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 MAPT 2000/4885GAA 523/4885CYP1A2 1050/4885

“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.