SCHEMBL17766705

SCHEMBL17766705

O=C(O)N(c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CRHR2 Q13324 1/20 0.45
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TGM2 P21980 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RORC P51449 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL29182467 0.87 ALDH1A1 (0.57) MEN1ALDH1A1CRHBPKMT2AATM
SCHEMBL15397513 0.84 P2RX1 (0.39) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL1973255 0.84 MMP1 (0.39) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL1973258 0.84 MMP1 (0.39) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL15397511 0.84 P2RX1 (0.39) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL1973054 0.84 P2RX1 (0.40) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL1973049 0.84 P2RX1 (0.40) MMP1RAB9AMEN1ALDH1A1CRHBP
SCHEMBL21247872 0.82 ALDH1A1 (0.67) RAB9AMEN1ALDH1A1CRHBPKMT2A
SCHEMBL439543 0.81 CA1 (0.60) RAB9AALDH1A1TGM2ABCG2CA1
SCHEMBL9264299 0.81 L3MBTL1 (0.56) RAB9AMEN1ALDH1A1CRHBPKMT2A

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-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 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-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 MMP1 324/4885RAB9A 3441/4885MEN1 4744/4885

“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.