SCHEMBL872450

SCHEMBL872450

Cc1ccc(/C(N)=N/O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
GAA P10253 5/20 0.38
HMBS P08397 1/20 0.36
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
PARP1 P09874 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6874463 1.00 SPR (0.46) SPRGAAHMBSKDM4ELMNA
SCHEMBL5791701 0.79 SPR (0.54) SPRGAAHMBSKDM4ELMNA
Hydrochloric Acid SCHEMBL5010691 0.77 SPR (0.53) SPRGAAHMBSKDM4ELMNA
SCHEMBL25919609 0.72 HMBS (0.42) GAAHMBSLMNAL3MBTL1
SCHEMBL4394661 0.68 GAA (0.45) GAALMNA
SCHEMBL6601546 0.68 GAA (0.45) GAALMNA
SCHEMBL4734537 0.68 KDM4E (0.68) SPRGAAKDM4ELMNAGLA
SCHEMBL11230846 0.66 PDE3B (0.59) KDM4ELMNAHPGD
SCHEMBL6434982 0.66 PDE3B (0.50) GAAKDM4EPARP1HPGDHSD17B10
SCHEMBL8121938 0.66 ALDH1A1 (0.60) SPRGAAKDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SPR 3331/4885GAA 4510/4885HMBS 4791/4885

“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.