SCHEMBL4170178

SCHEMBL4170178

COC(=O)c1cc2c([N+](=O)[O-])cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
SOS1 Q07889 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.41
HSP90AA1 P07900 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSP90B1 P14625 1/20 0.39
POLB P06746 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TP53 P04637 1/20 0.38
GRM2 Q14416 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 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
SCHEMBL13778780 0.89 SOS1 (0.46) SMN1; SMN2SOS1LMNAHTTMEN1
SCHEMBL4158936 0.83 HSP90AA1 (0.43) MEN1KMT2AMAPTHSP90AA1HSP90B1
SCHEMBL4799336 0.82 MAPT (0.42) MEN1KMT2AMAPTHSP90AA1HSP90B1
SCHEMBL4166109 0.82 IDO1 (0.46) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL4806657 0.82 MEN1 (0.43) MEN1KMT2AMAPTHSP90AA1HSP90B1
SCHEMBL4802889 0.82 ALDH1A1 (0.55) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL4162951 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4165398 0.80 HDAC1 (0.45) MEN1KMT2AMAPTHSP90AA1HSP90B1
SCHEMBL4800004 0.78 MEN1 (0.40) MEN1KMT2AMAPT
SCHEMBL4805646 0.77 THRB (0.41) MEN1KMT2AMAPTHSP90AA1HSP90B1

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP SMN1; SMN2 3999/4885SOS1 2191/4885LMNA 3075/4885

“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.