SCHEMBL9102812

SCHEMBL9102812

O=C(O)/C(Cl)=N/Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
EPAS1 Q99814 1/20 0.56
EPHX2 P34913 3/20 0.53
GAA P10253 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
NPY1R P25929 1/20 0.49

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
SCHEMBL2383847 1.00 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL2383845 1.00 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL511435 0.82 POLB (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL508475 0.82 POLB (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL511436 0.82 POLB (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL16039450 0.80 EPHX2 (0.58) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL16039451 0.80 EPHX2 (0.58) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL1919310 0.80 CA1 (0.58) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL1919676 0.80 CA1 (0.58) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL6501806 0.80 CA1 (0.58) KMT2AMAPTMEN1ALDH1A1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
WO-2015179697-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP 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-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ELANE, MMP8, NISCH KMT2A 4422/4885MAPT 4098/4885MEN1 3285/4885

“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.