SCHEMBL24915799

SCHEMBL24915799

Cc1cc(Br)c2cncc(C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PRNP P04156 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL29924020 0.80 PRNP (0.30) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL2457576 0.74 ALDH1A1 (0.37) ALDH1A1MAPTPRNPPPARGHTT
SCHEMBL18266944 0.71 CCR1 (0.32) ALDH1A1
SCHEMBL20265476 0.71 CYP1A2 (0.42) ALDH1A1
SCHEMBL29923813 0.68 LMNA (0.34) HTT
SCHEMBL17981056 0.68 LMNA (0.34) HTT
SCHEMBL24916443 0.68 CYP2A6 (0.31)
SCHEMBL29565711 0.68 MAOA (0.42) HTTACHE
SCHEMBL13087918 0.68 MAOA (0.42) HTTACHE
SCHEMBL17980961 0.68 LMNA (0.30)

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 ALDH1A1 3815/4885MAPT 1413/4885PRNP 3871/4885

“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.