SCHEMBL1809520

SCHEMBL1809520

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
GPR35 Q9HC97 1/20 0.43
TACR3 P29371 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PTGER4 P35408 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL1811362 0.87 ALOX15 (0.50) ALOX15MAPTGAACYP1A2RECQL
SCHEMBL1815489 0.84 MAPT (0.45) MAPTGAACYP1A2RECQLTACR3
SCHEMBL20604728 0.83 NQO2 (0.47) MAPTGAACYP1A2RECQLGPR35
SCHEMBL6079903 0.83 ALDH1A1 (0.44) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL6177930 0.81 ALOX15 (0.45) ALOX15MAPTGAAGPR35PTGER4
SCHEMBL1809185 0.80 PDK2 (0.49) ALOX15MAPTGAAGPR35PTGER4
SCHEMBL4991945 0.80 GPR35 (0.46) ALOX15MAPTGAACYP1A2RECQL
SCHEMBL14263879 0.79 MAPT (0.41) MAPTGAACYP1A2RECQLTACR3
SCHEMBL2072605 0.77 ALOX15 (0.77) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL31389251 0.77 ALOX15 (0.77) ALOX15MAPTSMN1; SMN2KDM4EALDH1A1

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
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
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US 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

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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D ALOX15 1121/4885MAPT 698/4885GAA 453/4885
US-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 ALOX15 2764/4885MAPT 2098/4885GAA 944/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 ALOX15 2117/4885MAPT 2000/4885GAA 523/4885

“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.