SCHEMBL880293

SCHEMBL880293

O=C(O)CNCCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.53
LTA4H P09960 3/20 0.52
TSHR P16473 1/20 0.47
FOLH1 Q04609 1/20 0.47
ASAH1 Q13510 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6239312 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HTTLMNALTA4HTSHR
SCHEMBL20221617 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNALTA4HTSHR
SCHEMBL8059055 0.84 HTT (0.56) SMN1; SMN2HTTLMNALTA4HFOLH1
SCHEMBL30221853 0.83 LTA4H (0.47) SMN1; SMN2HTTLMNALTA4HTSHR
SCHEMBL8760726 0.83 TSHR (0.61) SMN1; SMN2HTTLMNATSHR
SCHEMBL25290415 0.83 LTA4H (0.52) SMN1; SMN2HTTLMNALTA4HALDH1A1
SCHEMBL8722657 0.82 PAM (0.49) SMN1; SMN2HTTLMNALTA4HASAH1
SCHEMBL852589 0.82 LTA4H (0.64) SMN1; SMN2HTTLMNALTA4HASAH1
SCHEMBL7134228 0.81 TSHR (0.58) SMN1; SMN2HTTLMNATSHR
SCHEMBL30473567 0.81 L3MBTL1 (0.48) SMN1; SMN2HTTLMNALTA4HASAH1

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-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023102523-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO 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-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 SMN1; SMN2 3976/4885HTT 4139/4885LMNA 1295/4885

“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.