SCHEMBL9944830

SCHEMBL9944830

CNc1cc(NC2CC(F)(F)C2)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
FADS1 O60427 1/20 0.42
EGFR P00533 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
P2RX1 P51575 1/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9944831 0.86 FADS1 (0.51) PTGESFADS1EGFRSMN1; SMN2HTT
SCHEMBL9945002 0.83 FADS1 (0.49) FADS1EGFRSMN1; SMN2HTTP2RX1
SCHEMBL9899351 0.83 FADS1 (0.49) FADS1EGFRSMN1; SMN2HTTP2RX1
SCHEMBL9944834 0.81 EGFR (0.49) FADS1EGFRSMN1; SMN2HTTP2RX1
SCHEMBL9944857 0.78 PTGES (0.48) PTGESFADS1EGFRSMN1; SMN2HTT
SCHEMBL9946968 0.78 PTGES (0.53) PTGESFADS1EGFRSMN1; SMN2KMT2A
SCHEMBL9898506 0.77 MAPT (0.49) PTGESEGFRSMN1; SMN2HTTKMT2A
SCHEMBL9944735 0.76 ALDH1A1 (0.42) PTGESALDH1A1MAPTRAB9ANPC1
SCHEMBL9944732 0.75 EGFR (0.51) FADS1EGFRSMN1; SMN2HTTP2RX1
SCHEMBL10169864 0.75 EGFR (0.50) PTGESFADS1EGFRSMN1; 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 3/4885FADS1 494/4885EGFR 4542/4885

“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.