SCHEMBL265358

SCHEMBL265358

O=C(O)CCC(=O)NN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
CYP2D6 P10635 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
LIPE Q05469 2/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4411873 0.82 KDM4E (0.47) GLASMN1; SMN2HSD17B10LMNAGAA
SCHEMBL272351 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CYP2D6CA12CA1CA2
SCHEMBL19124539 0.81 LIPE (0.58) SMN1; SMN2CYP2D6CA12CA1CA2
SCHEMBL3870027 0.81 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6CA12CA1CA2
SCHEMBL265501 0.80 ALDH1A1 (0.50) SMN1; SMN2HSD17B10LMNAGAALIPE
Hydrochloric Acid SCHEMBL28256988 0.79 LIPE (0.57) SMN1; SMN2CYP2D6CA12CA1CA2
SCHEMBL27725002 0.79 HTT (0.43) GLASMN1; SMN2CYP2D6CA12CA1
Hydrochloric Acid SCHEMBL6043366 0.79 SMN1; SMN2 (0.42) GLASMN1; SMN2CYP2D6CA12CA1
SCHEMBL9503176 0.79 ALDH1A1 (0.61) SMN1; SMN2CYP2D6HSD17B10LMNACYP2C19
SCHEMBL9551386 0.78 CA12 (0.47) SMN1; SMN2CYP2D6CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 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-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-5 GLA 2307/4885SMN1; SMN2 2189/4885CYP2D6 598/4885

“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.