SCHEMBL9944752

SCHEMBL9944752

CCNC(=O)c1cc([N+](=O)[O-])c(NC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
BRD4 O60885 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CDC25B P30305 1/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 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
SCHEMBL9944988 0.90 NPC1 (0.44) HCAR3HTTNPC1RAB9ACDC25B
SCHEMBL9899302 0.87 HCAR3 (0.44) HCAR3HTTNPC1RAB9ACDC25B
SCHEMBL2252717 0.85 MEN1 (0.49) HCAR3HTTNPC1RAB9ALMNA
SCHEMBL9944822 0.82 MAPT (0.43) BRD4NPC1RAB9ALMNAPOLB
SCHEMBL11951407 0.81 HTT (0.49) HCAR3HTTRAB9ACDC25BLMNA
SCHEMBL670410 0.81 HCAR3 (0.55) HCAR3HTTCDC25BMAPTMEN1
SCHEMBL9947020 0.80 HCAR3 (0.47) HCAR3HTTRAB9ACDC25BLMNA
SCHEMBL670956 0.80 ALDH1A1 (0.57) HCAR3HTTNPC1RAB9ALMNA
SCHEMBL9944848 0.79 MEN1 (0.42) HTTNPC1RAB9AALDH1A1MAPT
SCHEMBL2249442 0.79 PDGFRB (0.46) HCAR3HTTRAB9ACDC25BLMNA

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 HCAR3 228/4885BRD4 2367/4885HTT 4506/4885

“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.