SCHEMBL18509855

SCHEMBL18509855

NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
LMNA P02545 3/20 0.52
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.47
HTT P42858 2/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
PABPC1 P11940 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4372297 1.00 NAMPT (0.53) NAMPTLMNAMMP2MMP9ALDH1A1
SCHEMBL379486 1.00 NAMPT (0.53) NAMPTLMNAMMP2MMP9ALDH1A1
Hydrochloric Acid SCHEMBL5087159 0.99 NAMPT (0.52) NAMPTLMNAMMP2MMP9ALDH1A1
Bromide SCHEMBL11455325 0.99 NAMPT (0.52) NAMPTLMNAMMP2MMP9ALDH1A1
Hydrochloric Acid SCHEMBL20214289 0.99 NAMPT (0.52) NAMPTLMNAMMP2MMP9ALDH1A1
SCHEMBL4953664 0.96 NAMPT (0.49) NAMPTLMNAMMP2MMP9ALDH1A1
SCHEMBL4953654 0.96 NAMPT (0.49) NAMPTLMNAMMP2MMP9ALDH1A1
SCHEMBL5172065 0.89 F2 (0.51) NAMPTLMNAMMP2MMP9ALDH1A1
Glycyl Proline SCHEMBL28466633 0.86 F2 (0.48) LMNAMMP2MMP9ALDH1A1EPHX2
SCHEMBL28579566 0.86 LMNA (0.48) LMNAMMP2MMP9ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239860-A1 THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF UNIV PENNSYLVANIA (US) 2024-07-18 US disclosed
US-20210198338-A1 THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF UNIV PENNSYLVANIA (US) 2021-07-01 US disclosed
US-10189884-B2 Thioamide-modified peptides and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-01-29 US disclosed
US-20170044231-A1 NOVEL THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF UNIV PENNSYLVANIA (US) 2017-02-16 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 (4 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-20240239860-A1 THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF PTMS, LNPEP, IAPP NAMPT 305/4885LMNA 4311/4885MMP2 3424/4885
US-10189884-B2 Thioamide-modified peptides and uses thereof PTMS, LNPEP, IAPP NAMPT 305/4885LMNA 4311/4885MMP2 3424/4885
US-20170044231-A1 NOVEL THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF PTMS, IAPP, LNPEP NAMPT 313/4885LMNA 4440/4885MMP2 3753/4885
US-20210198338-A1 THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF PTMS, LNPEP, IAPP NAMPT 305/4885LMNA 4311/4885MMP2 3424/4885

“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.