SCHEMBL14110413

SCHEMBL14110413

COc1cc(C(=O)NC2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDE7A Q13946 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX12 P18054 1/20 0.41
F10 P00742 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL736440 1.00 POLB (0.46) POLBALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL14110335 0.85 KMT2A (0.55) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL738506 0.85 KMT2A (0.55) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL737342 0.85 PDE7A (0.43) ALDH1A1CYP2C9PDE7AKMT2AMEN1
SCHEMBL14110362 0.85 PDE7A (0.43) ALDH1A1CYP2C9PDE7AKMT2AMEN1
SCHEMBL736430 0.82 ALDH1A1 (0.53) POLBALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19174810 0.82 KMT2A (0.55) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL738916 0.82 ALDH1A1 (0.53) POLBALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL736393 0.80 SIRT6 (0.52) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL736445 0.80 PTK2 (0.51) POLBALDH1A1LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 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-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH POLB 3177/4885ALDH1A1 731/4885LMNA 2318/4885

“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.