SCHEMBL22978658

SCHEMBL22978658

CC(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29698274 1.00 S100A9 (0.41) S100A9ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL10148219 0.84 ALDH1A1 (0.41) S100A9ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL1549298 0.80 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL2420286 0.80 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL2420288 0.80 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL30388361 0.80 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL13859196 0.78 CHRNB2 (0.33) ALDH1A1CHRNB2CHRNA4
SCHEMBL23534388 0.78 ALDH1A1 (0.37) S100A9ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL24122821 0.77 CYP11B2 (0.37) CYP11B1CYP11B2
SCHEMBL22990521 0.77 P2RX7 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 S100A9 3812/4885ALDH1A1 2452/4885LMNA 3967/4885

“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.