SCHEMBL755373

SCHEMBL755373

COc1c(C(=O)NN)ccn(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.45
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LIPG Q9Y5X9 5/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPC P11150 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AOC2 O75106 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL13351800 0.83 CTSD (0.44) CTSDALDH1A1KDM4EGAACA1
SCHEMBL14829175 0.82 MAPT (0.39) ALDH1A1KDM4EGAALIPGMAPT
SCHEMBL3431214 0.82 BRD4 (0.36) ALDH1A1KDM4ELIPGMAPTLMNA
Hydrazine SCHEMBL3431213 0.81 MAPT (0.44) ALDH1A1KDM4ELIPGMAPTLMNA
SCHEMBL14829178 0.80 MAPT (0.46) ALDH1A1KDM4EMAPTLMNACYP2C9
SCHEMBL757286 0.77 TSHR (0.46) ALDH1A1KDM4EGAACA1CA2
SCHEMBL17857884 0.76 MAPT (0.39) ALDH1A1KDM4EGAALIPGMAPT
SCHEMBL755779 0.75 LIPG (0.48) ALDH1A1GAALIPGLMNASMN1; SMN2
SCHEMBL14848166 0.74 LIPG (0.78) KDM4EGAALIPGMAPTLMNA
SCHEMBL14829716 0.72 NPC1 (0.46) ALDH1A1KDM4ELIPGLIPCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CTSD 2407/4885ALDH1A1 658/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CTSD 3370/4885ALDH1A1 424/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CTSD 3370/4885ALDH1A1 424/4885KDM4E 382/4885

“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.