SCHEMBL9899596

SCHEMBL9899596

CNc1c([N+](=O)[O-])cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 6/20 0.37
WDR5 P61964 5/20 0.37
MITF O75030 1/20 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
SCHEMBL9899594 1.00 ALDH1A1 (0.47) ALDH1A1POLBHPGDMAPTPTGES
SCHEMBL9944793 0.87 ALDH1A1 (0.51) ALDH1A1POLBHPGDMAPT
SCHEMBL9898930 0.84 ALDH1A1 (0.45) ALDH1A1POLBHPGDPTGESMITF
SCHEMBL9898933 0.84 ALDH1A1 (0.45) ALDH1A1POLBHPGDPTGESMITF
SCHEMBL9899055 0.82 PTGES (0.38) ALDH1A1POLBMAPTPTGESMITF
SCHEMBL9899058 0.82 PTGES (0.38) ALDH1A1POLBMAPTPTGESMITF
SCHEMBL9899057 0.82 PTGES (0.38) ALDH1A1POLBMAPTPTGESMITF
SCHEMBL9897509 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTPTGESMITF
SCHEMBL9897513 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTPTGESMITF
SCHEMBL9947086 0.80 ALDH1A1 (0.46) ALDH1A1POLBHPGDMITF

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885POLB 2315/4885HPGD 20/4885

“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.