Sugi Predict

Sugi Predict / Compounds / SCHEMBL2490983

SCHEMBL2490983

SCHEMBL2490983

CC1(C)C(=O)N(CCCOCc2ccccc2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ MPI P34949 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ F2RL3 Q96RI0 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE1C Q14123 1/20 0.32
▸ SIRT1 Q96EB6 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
SCHEMBL5561087 0.84 F2RL3 (0.43) TDP1ALDH1A1L3MBTL1F2RL3CYP1A2
SCHEMBL2488757 0.82 TDP1 (0.50) TDP1MPIALDH1A1HTTELANE
SCHEMBL2488454 0.80 TDP1 (0.55) TDP1MPIALDH1A1HTTL3MBTL1
SCHEMBL2486986 0.79 TDP1 (0.54) TDP1MPIALDH1A1HTTL3MBTL1
SCHEMBL2491382 0.78 TDP1 (0.44) TDP1MPIALDH1A1HTTL3MBTL1
SCHEMBL2488630 0.78 TDP1 (0.57) TDP1MPIALDH1A1L3MBTL1CYP1A2
SCHEMBL6461934 0.78 TDP1 (0.50) TDP1MPIALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2488947 0.78 TDP1 (0.50) TDP1MPIALDH1A1HTTL3MBTL1
SCHEMBL2488437 0.77 TDP1 (0.52) TDP1MPIALDH1A1HTTL3MBTL1
SCHEMBL2487541 0.77 TDP1 (0.49) TDP1MPIALDH1A1HTTL3MBTL1

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-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
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 — — EP disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 TDP1 452/4885MPI 2348/4885ALDH1A1 618/4885

“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.