SCHEMBL22436734

SCHEMBL22436734

Cc1c(Br)c(C(O)CC=O)nn1C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
CSNK2A1 P68400 3/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30679059 1.00 NPC1 (0.31) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL22436767 0.84 CSNK2A1 (0.31) ALDH1A1CSNK2A1
SCHEMBL30679087 0.84 CSNK2A1 (0.31) ALDH1A1CSNK2A1
SCHEMBL22436673 0.81
SCHEMBL30679076 0.81
SCHEMBL22436700 0.80 CSNK2A1 (0.36) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL30679098 0.80 CSNK2A1 (0.36) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL30679095 0.77 CSNK2A1 (0.35) ALDH1A1CSNK2A1
SCHEMBL22436737 0.77 CSNK2A1 (0.35) ALDH1A1CSNK2A1
SCHEMBL14043734 0.73 CSNK2A1 (0.36) NPC1POLBRAB9AHTTCSNK2A1

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-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 US disclosed
EP-3710451-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 EP 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-11440923-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI NPC1 1672/4885POLB 2292/4885RAB9A 2083/4885

“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.