SCHEMBL730547

SCHEMBL730547

Cc1nn(-c2ccccn2)c(Cl)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
CCNO P22674 1/20 0.40
CCNE1 P24864 1/20 0.40
CCNA1 P78396 1/20 0.40

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
SCHEMBL29953885 1.00 MAPT (0.50) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL123248 0.85 ALDH1A1 (0.52) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL15330342 0.82 HMGCR (0.40) MAPTMAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL29951390 0.82 MAPK14 (0.38) MAPTMAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL29951140 0.82 FFAR4 (0.40) MAPTMAPK1SMN1; SMN2CDK2ALDH1A1
SCHEMBL29952980 0.81 HTT (0.42) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL15329713 0.81 ALDH1A1 (0.46) MAPTMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL29955284 0.80 DHFR (0.38) MAPTMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL15332241 0.79 HMGCR (0.40) MAPTMAPK1LMNA
SCHEMBL15330309 0.79 OXTR (0.36) MAPTMAPK1SMN1; SMN2ALDH1A1L3MBTL1

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 MAPT 4484/4885MAPK1 1666/4885HTT 1983/4885

“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.