SCHEMBL6280293

SCHEMBL6280293

CCNC(=O)NCCNC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.44
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.36
NOS2 P35228 1/20 0.36
USP2 O75604 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
MCL1 Q07820 1/20 0.33
PRMT1 Q99873 1/20 0.33

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
Hydrochloric Acid SCHEMBL23834081 0.98 EPHX1 (0.43) EPHX1EPHX2ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL23834079 0.95 EPHX1 (0.41) EPHX1EPHX2ALDH1A1SMN1; SMN2TSHR
SCHEMBL23173031 0.89 EPHX1 (0.52) EPHX1EPHX2ALDH1A1SMN1; SMN2TSHR
SCHEMBL14756359 0.89 EPHX1 (0.46) EPHX1EPHX2ALDH1A1TSHRUSP2
SCHEMBL6285139 0.86 EPHX1 (0.58) EPHX1EPHX2KMT2ACNR2PRMT1
SCHEMBL6284640 0.86 EPHX1 (0.52) EPHX1EPHX2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21582896 0.85 EPHX1 (0.58) EPHX1EPHX2ALDH1A1SMN1; SMN2MMP1
SCHEMBL6287207 0.84 EPHX1 (0.61) EPHX1EPHX2KMT2ACNR2PRMT1
SCHEMBL6290325 0.81 EPHX1 (0.68) EPHX1EPHX2MMP1MMP2
SCHEMBL320068 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
WO-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 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 (2 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT EPHX1 4343/4885EPHX2 4433/4885ALDH1A1 3437/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT EPHX1 3817/4885EPHX2 4400/4885ALDH1A1 236/4885

“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.