SCHEMBL9944864

SCHEMBL9944864

CCOC(=O)c1cc([N+](=O)[O-])c(NC)cc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.52
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL9944772 0.91 ALDH1A1 (0.53) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944759 0.86 GPR174 (0.52) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL9946572 0.86 MAPT (0.52) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944868 0.85 ALDH1A1 (0.47) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944921 0.85 ALDH1A1 (0.47) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944859 0.83 ALDH1A1 (0.48) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9899253 0.83 ALDH1A1 (0.44) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944865 0.82 LMNA (0.49) ALDH1A1LMNAHPGDPOLBNPSR1
SCHEMBL19030131 0.80 MAPT (0.61) ALDH1A1MAPTNPC1KMT2ALMNA
SCHEMBL9944982 0.78 L3MBTL1 (0.55) ALDH1A1MAPTNPC1KMT2ALMNA

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 126/4885MAPT 4336/4885NPC1 1695/4885

“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.