SCHEMBL4911253

SCHEMBL4911253

O=C(NO)[N+]1(Cc2ccc(F)cc2F)C=C(COCc2ccccc2)c2ccncc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AR P10275 1/20 0.34
PPIA P62937 1/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
GRM5 P41594 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ROCK2 O75116 1/20 0.32
MAPK14 Q16539 2/20 0.31
PPARA Q07869 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
S1PR1 P21453 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4914461 0.66 HDAC6 (0.40) KCNA5LRRK2ARGRM5ROCK2
SCHEMBL4903875 0.61 GSK3B (0.34) MAPK14
SCHEMBL16946125 0.59 KCNA5 (0.52) KCNA5GRM5PPARASIGMAR1
SCHEMBL13316730 0.57 TSHR (0.48) KCNA5GPBAR1CYP11B1CYP11B2
SCHEMBL6543652 0.55 AGTR1 (0.47)
SCHEMBL27997538 0.55 KMT2A (0.57)
SCHEMBL7342099 0.55 TSHR (0.50)
SCHEMBL29952361 0.55 LIPE (0.47) ARGRM5
SCHEMBL31732826 0.55 ITGB3 (0.52) KCNA5
SCHEMBL7990696 0.55 CA1 (0.41) KCNA5ARGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB KCNA5 4629/4885LRRK2 2826/4885AR 3006/4885

“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.