SCHEMBL3613050

SCHEMBL3613050

O=C(C=Cc1ccc([N+](=O)[O-])c(Cl)c1)Nc1nc2cc(Cl)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
HPSE Q9Y251 4/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR2 O15552 1/20 0.43
HTT P42858 1/20 0.43
FBP1 P09467 1/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.42
BACE1 P56817 1/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL3609093 0.87 MAPT (0.50) MAPTHPSEMEN1KMT2APOLB
SCHEMBL3609096 0.87 MAPT (0.50) MAPTHPSEMEN1KMT2APOLB
SCHEMBL3610946 0.81 MAPT (0.57) MAPTHPSEMEN1KMT2AFFAR2
SCHEMBL3620968 0.80 MAPT (0.66) MAPTHPSEMEN1KMT2AFFAR2
SCHEMBL3620965 0.80 MAPT (0.66) MAPTHPSEMEN1KMT2AFFAR2
SCHEMBL3616689 0.77 KCNH2 (0.53) MAPTMEN1KMT2APOLBFFAR2
SCHEMBL3607740 0.73 MAPT (0.52) MAPTMEN1KMT2APOLBFFAR2
SCHEMBL7130372 0.70 PPARG (0.63) MAPTMEN1KMT2AFBP1THRB
SCHEMBL5707129 0.69 PLA2G4A (0.59) MAPTMEN1KMT2APOLBHPGD
SCHEMBL3777315 0.69 KCNH2 (0.63) MAPTMEN1KMT2APOLBTDP1

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-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (2 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 MAPT 2371/4885HPSE 847/4885MEN1 2826/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MAPT 2338/4885HPSE 853/4885MEN1 2786/4885

“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.