SCHEMBL3603134

SCHEMBL3603134

CC1(C)Cc2c(N3CCCC3)ccc(C#N)c2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
ALDH1A1 P00352 8/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
CDC42BPA Q5VT25 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35

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
SCHEMBL3606171 0.73 ALDH1A1 (0.34) ARALDH1A1LMNAKDM4EGAA
SCHEMBL24328562 0.71 KDM4E (0.49) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL10638055 0.70 POLB (0.34) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL12862621 0.70 L3MBTL1 (0.43) ALDH1A1LMNAGAAL3MBTL1TDP1
SCHEMBL3604557 0.69 AR (0.57) ARALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3601665 0.68 AR (0.56) ARALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL24825554 0.66 AR (0.57) ARALDH1A1LMNAKDM4EGAA
SCHEMBL24327498 0.66 TIPARP (0.34) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL22667736 0.66 AR (0.55) ARL3MBTL1TDP1
SCHEMBL459256 0.66 ALDH1A1 (0.48) ARALDH1A1LMNAKDM4EGAA

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (2 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 AR 1/4885ALDH1A1 1763/4885LMNA 4612/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 AR 1/4885ALDH1A1 1488/4885LMNA 4569/4885

“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.