SCHEMBL9945017

SCHEMBL9945017

Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(NCC(C)(C)O)cc2N2CCC(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 7/20 0.48
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CTPS1 P17812 1/20 0.41
CSF1R P07333 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9944805 0.89 ALDH1A1 (0.52) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9945021 0.86 KMT2A (0.49) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9945018 0.85 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9945015 0.84 MAPT (0.42) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL9944804 0.80 MAPT (0.48) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9945035 0.80 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9944774 0.80 L3MBTL1 (0.48) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9898485 0.77 PTGES (0.47) MAPTMAPK1ALDH1A1LMNANPC1
SCHEMBL9945019 0.77 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL9944972 0.77 MAPT (0.56) KMT2AMEN1L3MBTL1MAPTMAPK1

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 KMT2A 3376/4885MEN1 4598/4885L3MBTL1 3016/4885

“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.