SCHEMBL755491

SCHEMBL755491

CCN(CC)C(=O)c1cc(Cc2ccc(F)cc2)c(C(=O)/C=C(\O)C(=O)OC)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LTA4H P09960 1/20 0.33
CASP3 P42574 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 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
SCHEMBL755492 1.00 RAB9A (0.34) RAB9ANPC1CA12CA1CA2
SCHEMBL753146 0.83 CNR2 (0.37) RAB9ANPC1CA12CA1CA2
SCHEMBL753145 0.83 CNR2 (0.37) RAB9ANPC1CA12CA1CA2
SCHEMBL2485045 0.81 MAPK14 (0.42) CA12CA1CA2CA9HTT
SCHEMBL2485043 0.81 MAPK14 (0.42) CA12CA1CA2CA9HTT
SCHEMBL2486036 0.80 ALDH1A1 (0.38) MAOBGPR55ALDH1A1KMT2AHPGD
SCHEMBL2486035 0.80 ALDH1A1 (0.38) MAOBGPR55ALDH1A1KMT2AHPGD
SCHEMBL755038 0.79 POLB (0.40) RAB9ANPC1HTTGAAPDE3B
SCHEMBL754494 0.79 KMT2A (0.39) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL754495 0.79 KMT2A (0.39) RAB9ANPC1MEN1ALDH1A1KMT2A

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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885NPC1 2338/4885CA12 4630/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885NPC1 2338/4885CA12 4630/4885

“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.