SCHEMBL24419929

SCHEMBL24419929

C=CC(=O)N1CCN(c2nc(N(C)Cc3ccccc3)nc3sc4c(c23)CCCC4)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
NPSR1 Q6W5P4 5/20 0.57
MEN1 O00255 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 1/20 0.57
GPR55 Q9Y2T6 9/20 0.57
CNR1 P21554 5/20 0.57
KDM4E B2RXH2 4/20 0.53
LMNA P02545 6/20 0.52
HPGD P15428 5/20 0.52
MAPK1 P28482 3/20 0.52
TSHR P16473 4/20 0.50
MAPT P10636 4/20 0.50
ALOX15 P16050 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
ACACA Q13085 1/20 0.49
HTT P42858 3/20 0.48
PRKCI P41743 1/20 0.47

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
SCHEMBL29763660 1.00 ALDH1A1 (0.57) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL23947751 0.92 GPR55 (0.48) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL29763677 0.92 GPR55 (0.48) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL29763671 0.90 GPR55 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL23947750 0.90 GPR55 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL23947748 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL29763683 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL23948165 0.86 ALDH1A1 (0.65) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL29763669 0.86 ALDH1A1 (0.65) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL23948164 0.84 ALDH1A1 (0.63) ALDH1A1NPSR1MEN1RECQLKMT2A

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-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

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 ALDH1A1 2759/4885NPSR1 4713/4885MEN1 3618/4885
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI ALDH1A1 2759/4885NPSR1 4713/4885MEN1 3618/4885

“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.