SCHEMBL4248071

SCHEMBL4248071

O/N=C(\Cl)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CASP3 P42574 1/20 0.33
GRM4 Q14833 1/20 0.33
DPP4 P27487 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4248074 1.00 TRPV4 (0.46) TRPV4NPSR1TRPV1MRGPRX4SLC6A3
SCHEMBL2538972 0.79 GAA (0.46) TRPV4NPSR1TRPV1KCNH2
SCHEMBL3760727 0.79 GAA (0.46) TRPV4NPSR1TRPV1KCNH2
SCHEMBL28558708 0.78 TRPV4 (0.48) TRPV4TRPV1MRGPRX4SLC6A3KCNH2
SCHEMBL627545 0.78 TRPV4 (0.48) TRPV4TRPV1MRGPRX4SLC6A3KCNH2
SCHEMBL30395883 0.78 TRPV4 (0.48) TRPV4TRPV1MRGPRX4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL5125109 0.76 TRPV4 (0.47) TRPV4TRPV1MRGPRX4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL28549563 0.76 TRPV4 (0.47) TRPV4TRPV1MRGPRX4SLC6A3KCNH2
SCHEMBL22359307 0.76 CYP2A6 (0.35) NPSR1
SCHEMBL4396411 0.75 NAPRT (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
US-7902227-B2 C-7 isoxazolinyl quinolone / naphthyridine derivatives useful as antibacterial agents JANSSEN PHARMACEUTICA NV. (BE) 2011-03-08 US disclosed
WO-2010093341-A1 C-7 ISOXAZOLINYL QUINOLONE/NAPHTHYRIDINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 WO disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 US disclosed
US-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-29 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-20090029980-A1 C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents CASP7, CYP3A7, NQO2 TRPV4 3383/4885NPSR1 3808/4885TRPV1 3175/4885

“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.