SCHEMBL22800983

SCHEMBL22800983

Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
RECQL P46063 1/20 0.61
MDM2 Q00987 1/20 0.61
KDM1A O60341 1/20 0.61
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 1/20 0.56
BRAF P15056 2/20 0.55
MAPK1 P28482 3/20 0.54
BRDT Q58F21 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 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
SCHEMBL16076188 0.86 BRDT (0.71) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4667126 0.86 RECQL (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800970 0.82 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL15923446 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800992 0.81 RECQL (0.62) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL16028621 0.80 ATM (0.71) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800969 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL17845827 0.80 RECQL (0.67) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL14893450 0.79 RECQL (0.59) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL3893257 0.78 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ARECQLMDM2

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-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 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-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS ALDH1A1 1158/4885MEN1 4456/4885KMT2A 2568/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS ALDH1A1 1158/4885MEN1 4456/4885KMT2A 2568/4885

“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.