SCHEMBL6029470

SCHEMBL6029470

CC(C)N1CCN(c2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
PARP1 P09874 5/20 0.44
PARP2 Q9UGN5 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
VCP P55072 4/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALK Q9UM73 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
MT-CO2 P00403 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
SCHEMBL6029678 0.85 AURKA (0.50) DHODHPARP1VCPAURKAAURKB
SCHEMBL6029754 0.84 DHODH (0.50) DHODHPARP1TGFBR1ACVR1ALDH1A1
SCHEMBL6029661 0.84 PARP1 (0.46) DHODHPARP1AURKAAURKB
SCHEMBL6028789 0.83 AURKA (0.55) DHODHPARP1PARP2AURKAAURKB
SCHEMBL30417930 0.83 PARP1 (0.45) PARP1PARP2TGFBR1ACVR1VCP
SCHEMBL5073303 0.83 PARP1 (0.45) PARP1PARP2TGFBR1ACVR1VCP
SCHEMBL6029840 0.82 AURKA (0.64) DHODHAURKAAURKBMT-CO2
SCHEMBL6028864 0.81 DHODH (0.46) DHODHPARP1TGFBR1ACVR1HDAC11
SCHEMBL6028613 0.81 JAK2 (0.51) DHODHPARP1AURKAAURKBMAPT
SCHEMBL3576982 0.80 AURKA (0.52) PARP1PARP2TGFBR1ACVR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 US 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-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 DHODH 674/4885PARP1 1/4885PARP2 2/4885

“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.