SCHEMBL9899286

SCHEMBL9899286

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])c(NCC(F)F)cc1N1CC[C@@H](F)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 7/20 0.40
EPHX2 P34913 4/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL9899289 1.00 PTGES (0.46) PTGESMEN1KMT2AMITFSMN1; SMN2
SCHEMBL9947024 0.91 PTGES (0.47) PTGESMEN1KMT2AMITFSMN1; SMN2
SCHEMBL9898228 0.87 PTGES (0.48) PTGESABL1EPHX2
SCHEMBL9898230 0.87 PTGES (0.48) PTGESABL1EPHX2
SCHEMBL9898684 0.81 MEN1 (0.48) MEN1KMT2AMITFSMN1; SMN2ABL1
SCHEMBL9944774 0.79 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL9898485 0.76 PTGES (0.47) PTGESSMN1; SMN2ABL1
SCHEMBL9946757 0.76 PTGES (0.49) PTGESABL1EPHX2
SCHEMBL9946848 0.76 PTGES (0.49) PTGESABL1EPHX2
SCHEMBL9944976 0.76 L3MBTL1 (0.50) MEN1KMT2ASMN1; 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 4 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-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
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 3/4885MEN1 4598/4885KMT2A 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.