SCHEMBL3666301

SCHEMBL3666301

O=CC1=C(Cl)c2cc(Br)ccc2CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
PARP1 P09874 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP2 O95551 2/20 0.37
ESR1 P03372 1/20 0.36
KDR P35968 2/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
PARP11 Q9NR21 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
TYMS P04818 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL29951071 0.90 PARP10 (0.46) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL15173274 0.78 SRD5A1 (0.45) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL12797026 0.77 ESR1 (0.56) TDP1L3MBTL1ESR1MAOAMAOB
SCHEMBL30856147 0.73 TDP1 (0.49) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL988678 0.73 LMNA (0.39) MAOBERN1
SCHEMBL12797270 0.72 SIGMAR1 (0.42) ESR1
SCHEMBL10531263 0.71 PARP1 (0.46) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL355820 0.71 MAOA (0.53) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL29483386 0.71 MAOA (0.53) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL988496 0.70 LMNA (0.39) ESR1MAOAMAOBERN1

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
EP-2240029-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2010-10-20 EP disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 PARP10 2461/4885PARP1 2137/4885TDP1 4423/4885

“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.