SCHEMBL8411617

SCHEMBL8411617

NN=C(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
TMPRSS15 P98073 2/20 0.39
ACR P10323 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL12228517 0.77 LTA4H (0.41) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL12782035 0.76 PRSS1 (0.45) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL3596957 0.76 CA1 (0.47) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL8483797 0.75 CA4 (0.42) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL21842904 0.75 TDP1 (0.39) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL2468563 0.72 TMPRSS15 (0.42) TDP1KDM4EMAPTCA1CA2
SCHEMBL22202131 0.72 MAPT (0.38) PRSS1PRSS2PRSS3TDP1KDM4E
SCHEMBL9002537 0.70 GAA (0.54) TDP1KDM4EMAPTTSHRHPGD
SCHEMBL2461841 0.70 PARP10 (0.39) PRSS1TDP1LTA4HTSHRTMPRSS15
SCHEMBL19633119 0.70 LTA4H (0.40) PRSS1PRSS2PRSS3TDP1KDM4E

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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-5968934-A TREATMENT OF PAIN, INFLAMMATION, MIGRAINES, EMESIS AND POSTHERAPEUTIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-10-19 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 PRSS1 3434/4885PRSS2 4154/4885PRSS3 4357/4885

“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.