SCHEMBL2807993

SCHEMBL2807993

Cc1cc(C)c(CN2C(=O)c3ccccc3C2=O)c(C)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
TGM2 P21980 1/20 0.46
CASP3 P42574 1/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 3/20 0.46
PABPC1 P11940 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7894073 0.86 TSHR (0.59) TSHRSMN1; SMN2MAPTRECQLCASP3
SCHEMBL2087913 0.81 TSHR (0.55) TSHRSMN1; SMN2MAPTRECQLCASP3
SCHEMBL29820186 0.74 PTGS1 (0.65) TSHRMAPTRECQLTGM2CASP3
SCHEMBL10304923 0.74 PTGS1 (0.65) TSHRMAPTRECQLTGM2CASP3
SCHEMBL9757294 0.74 MAPT (0.58) TSHRSMN1; SMN2MAPTCASP3MAPK1
SCHEMBL10754225 0.73 CASP3 (0.56) MAPTRECQLCASP3ALOX15HTT
SCHEMBL8816419 0.73 CASP3 (0.56) TSHRSMN1; SMN2MAPTRECQLCASP3
SCHEMBL17029125 0.72 CASP3 (0.66) TSHRSMN1; SMN2MAPTCASP3MAPK1
SCHEMBL2470168 0.72 MAPK1 (0.57) TSHRMAPTRECQLTGM2MAPK1
SCHEMBL5473691 0.72 MAPK1 (0.54) TSHRSMN1; SMN2MAPTTGM2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH TSHR 623/4885SMN1; SMN2 2035/4885MAPT 323/4885

“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.