SCHEMBL24916409

SCHEMBL24916409

CCOC(=O)c1cc(CC)cc2c(C(C)C)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
NUDT1 P36639 1/20 0.43
TSHR P16473 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL24916411 0.87 ACE2 (0.40) GABRA1GABRB2TSHRALDH1A1KDM4E
SCHEMBL24916220 0.85 DPP4 (0.45) GABRA1NUDT1ALDH1A1KDM4EMAPT
SCHEMBL22766603 0.84 GABRA1 (0.47) GABRA1GABRB2NUDT1TSHRCYP4F2
SCHEMBL24915849 0.84 PLK1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL29923669 0.83 CA12 (0.47) GABRA1GABRB2NUDT1TSHRCYP4F2
SCHEMBL24916110 0.83 CA12 (0.47) GABRA1GABRB2NUDT1TSHRCYP4F2
SCHEMBL24916059 0.82 POLB (0.41) GABRA1GABRB2TSHRCYP4F2CYP4A11
SCHEMBL22750311 0.82 GABRA1 (0.45) GABRA1GABRB2NUDT1TSHRCYP4F2
SCHEMBL29923420 0.82 GABRA1 (0.45) GABRA1GABRB2NUDT1TSHRCYP4F2
SCHEMBL24915997 0.80 GPR52 (0.39) ALDH1A1KDM4EMAPTKMT2A

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 GABRA1 3838/4885GABRB2 3912/4885NUDT1 2575/4885

“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.