SCHEMBL9944857

SCHEMBL9944857

CNc1cc(N2CCC(F)(F)C2)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
MAPT P10636 7/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 3/20 0.45
THRB P10828 1/20 0.45
EGFR P00533 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.39
WDR5 P61964 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9944858 0.86 PTGES (0.50) PTGESMAPTALDH1A1KMT2ARAB9A
SCHEMBL9898506 0.85 MAPT (0.49) PTGESMAPTALDH1A1KMT2AMEN1
SCHEMBL9944980 0.81 L3MBTL1 (0.53) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9899351 0.81 FADS1 (0.49) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9945002 0.81 FADS1 (0.49) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9944830 0.78 PTGES (0.47) PTGESMAPTALDH1A1KMT2AMEN1
SCHEMBL9899319 0.78 SIRT6 (0.41) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL9944834 0.76 EGFR (0.49) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9944746 0.76 POLB (0.39) PTGESMAPTALDH1A1KMT2AMEN1
SCHEMBL9899423 0.73 PTGES (0.46) PTGESMAPTALDH1A1SMN1; SMN2HTT

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 PTGES 3/4885MAPT 4336/4885ALDH1A1 126/4885

“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.