SCHEMBL24915973

SCHEMBL24915973

COc1ccc2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
NQO2 P16083 2/20 0.57
RAD52 P43351 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.51
SLC2A1 P11166 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN11 Q06124 1/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
PRNP P04156 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
SCHEMBL26400644 0.87 NPSR1 (0.51) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL21173382 0.84 ALDH1A1 (0.62) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL20867790 0.80 NQO1 (0.55) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12929970 0.80 LMNA (0.58) KDM4EALDH1A1KMT2APKML3MBTL1
SCHEMBL8103092 0.80 POLB (0.66) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10199562 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDNQO2MEN1
SCHEMBL24915721 0.79 KDM4E (0.52) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL24392252 0.77 PDE3B (0.49) POLBKDM4EALDH1A1NQO2KMT2A
SCHEMBL23683005 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL437286 0.77 HSD17B10 (0.71) POLBKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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 (1 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 POLB 3227/4885KDM4E 105/4885ALDH1A1 3815/4885

“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.