SCHEMBL23947751

SCHEMBL23947751

C=CC(=O)N1CCN(c2nc(N(C)Cc3ccc(F)cc3)nc3sc4c(c23)CCCC4)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 10/20 0.48
ALDH1A1 P00352 7/20 0.48
CNR1 P21554 7/20 0.48
NPSR1 Q6W5P4 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
ACACA Q13085 1/20 0.48
HPGD P15428 5/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL29763677 1.00 GPR55 (0.48) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL24419929 0.92 ALDH1A1 (0.57) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL29763660 0.92 ALDH1A1 (0.57) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL29763671 0.91 GPR55 (0.49) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL23947750 0.91 GPR55 (0.49) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL23947748 0.88 ALDH1A1 (0.50) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL29763683 0.88 ALDH1A1 (0.50) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL23947738 0.85 ALDH1A1 (0.56) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL29763658 0.85 ALDH1A1 (0.56) GPR55ALDH1A1CNR1NPSR1KDM4E
SCHEMBL23948166 0.83 ALDH1A1 (0.54) GPR55ALDH1A1CNR1NPSR1KDM4E

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-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2023-02-16 US disclosed
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2022-05-12 US disclosed
WO-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 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 (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-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI GPR55 4199/4885ALDH1A1 2759/4885CNR1 4715/4885
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI GPR55 4199/4885ALDH1A1 2759/4885CNR1 4715/4885

“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.