SCHEMBL2489103

SCHEMBL2489103

CC1(C)C(=O)N(CCC2CC2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 5/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SCN9A Q15858 1/20 0.34
MAPT P10636 8/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13341368 0.85 SCN9A (0.38) MPITDP1ACHECYP2C9SCN9A
SCHEMBL2488630 0.84 TDP1 (0.57) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2487541 0.84 TDP1 (0.49) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2487731 0.83 TDP1 (0.53) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2488454 0.82 TDP1 (0.55) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2486920 0.82 TDP1 (0.56) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2486986 0.81 TDP1 (0.54) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2489582 0.81 TDP1 (0.54) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2486345 0.81 TDP1 (0.51) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2489127 0.81 TDP1 (0.53) MPITDP1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 MPI 2348/4885TDP1 452/4885ACHE 4425/4885

“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.