SCHEMBL8395285

SCHEMBL8395285

O=C(O)NCCCNC(=O)OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.74
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TGM2 P21980 1/20 0.65
KEAP1 Q14145 2/20 0.63
NFE2L2 Q16236 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 1/20 0.55
FOLH1 Q04609 2/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52

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
SCHEMBL21359264 0.95 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.91 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL2402780 0.90 HTT (0.74) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.90 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.90 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.90 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1299850 0.89 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL14010423 0.89 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13055383 0.88 LMNA (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6494174 0.87 HTT (0.70) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12097241-B2 Methods of treating kidney failure, and/or improving or stablizing renal function using modified relaxin polypeptides BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-24 US disclosed
US-5883132-A MULTISTAGE REACTION OF AMIDATION, ACTIVATION, COUPLING AND HYDROLYSIS FOURNIER INDUSTRIE ET SANTE (FR) 1999-03-16 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-12097241-B2 Methods of treating kidney failure, and/or improving or stablizing renal function using modified relaxin polypeptides RXFP2, RXFP1, RXFP4 HTT 3681/4885LMNA 2106/4885SMN1; SMN2 809/4885

“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.