SCHEMBL9944993

SCHEMBL9944993

CCCNC(=O)c1cc([N+](=O)[O-])c(NC)cc1N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 8/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
CSF1R P07333 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9944808 0.92 KMT2A (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9944989 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL9944969 0.84 ALDH1A1 (0.37) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL9944769 0.84 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9945032 0.84 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9944846 0.83 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9944820 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAAMAPK1
SCHEMBL9944991 0.83 KDM4E (0.36) ALDH1A1LMNAGAASMN1; SMN2POLB
SCHEMBL9898442 0.81 PTGES (0.45) ALDH1A1MAPTKMT2AMEN1
SCHEMBL9944753 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAASMN1; SMN2

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 4336/4885KMT2A 3376/4885

“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.