Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486986

SCHEMBL2486986

SCHEMBL2486986

CCCCCN1C(=O)C(C)(C)c2cc(N)c([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.54
▸ MPI P34949 1/20 0.54
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL2488454 0.96 TDP1 (0.55) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2488630 0.91 TDP1 (0.57) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL6461934 0.86 TDP1 (0.50) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2486920 0.86 TDP1 (0.56) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2492012 0.86 MPI (0.44) TDP1MPISCN9AMAPT
SCHEMBL2488437 0.86 TDP1 (0.52) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL5562893 0.86 TDP1 (0.38) TDP1MPISCN9ASMN1; SMN2ALDH1A1
SCHEMBL2486345 0.85 TDP1 (0.51) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL6450666 0.85 SCN9A (0.40) SCN9APTGS1PTGS2MGLLFAAH
SCHEMBL2486433 0.84 TDP1 (0.46) TDP1MPICYP1A2CYP2C9CYP2C19

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 5 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
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 — — 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 (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 2348/4885CYP1A2 1252/4885

“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.