SCHEMBL11901649

SCHEMBL11901649

O=C(O)c1c(F)ccc([N+](=O)[O-])c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
CXCR2 P25025 3/20 0.49
HCAR3 P49019 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP7 P55210 1/20 0.46
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL11901611 0.87 KMT2A (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11902238 0.82 L3MBTL1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11900535 0.79 L3MBTL1 (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11901873 0.79 MEN1 (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11901893 0.79 L3MBTL1 (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4947111 0.77 CXCR2 (0.58) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3167155 0.77 MEN1 (0.43) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL21749965 0.76 TDP1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11901901 0.76 L3MBTL1 (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11901412 0.76 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MEN1 2411/4885KMT2A 4182/4885MAPT 1752/4885

“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.