SCHEMBL19969336

SCHEMBL19969336

O=[N+]([O-])c1ccc2c(cnn2P)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.58
MAPT P10636 6/20 0.45
NOS1 P29475 2/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.45
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.42
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28190036 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL27985287 0.80 GLS (0.62) GLSMAPTNOS1POLBMAOB
SCHEMBL29661255 0.80 GLS (0.62) GLSMAPTNOS1POLBMAOB
SCHEMBL4762417 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL271762 0.80 GLS (0.62) GLSMAPTNOS1POLBMAOB
SCHEMBL18188106 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL2350364 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL9555018 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL30716437 0.80 GLS (0.58) GLSMAPTNOS1POLBMAOB
SCHEMBL29009545 0.78 GLS (0.56) GLSMAPTNOS1POLBMAOB

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-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 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 (4 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GLS 74/4885MAPT 1198/4885NOS1 358/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GLS 74/4885MAPT 1198/4885NOS1 358/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GLS 74/4885MAPT 1198/4885NOS1 358/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 GLS 74/4885MAPT 1198/4885NOS1 358/4885

“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.