SCHEMBL952871

SCHEMBL952871

Cc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.38
CFTR P13569 1/20 0.38
RAB9A P51151 1/20 0.38
EIF4E P06730 10/20 0.36
DDX3X O00571 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL951945 0.91 F2RL3 (0.38) F2RL3CFTRRAB9AEIF4EDDX3X
SCHEMBL953589 0.84 CDC7 (0.43) RAB9ASMN1; SMN2GAA
SCHEMBL955904 0.84 CDC7 (0.40) F2RL3RAB9ASMN1; SMN2GAA
SCHEMBL953113 0.82 CDC7 (0.50) RAB9ASMN1; SMN2GAA
SCHEMBL953949 0.82 CDC7 (0.43) F2RL3SMN1; SMN2
SCHEMBL951780 0.82 HIF1A (0.39) RAB9ASMN1; SMN2
SCHEMBL958443 0.82 CDC7 (0.36) SMN1; SMN2
SCHEMBL953870 0.79 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2GAA
SCHEMBL956090 0.79 PTGS1 (0.36) F2RL3RAB9ASMN1; SMN2
SCHEMBL951910 0.78 F2RL3 (0.35) F2RL3CFTRRAB9ASMN1; SMN2MGAM

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 F2RL3 4796/4885CFTR 1357/4885RAB9A 1059/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL3 2057/4885CFTR 3983/4885RAB9A 668/4885

“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.