SCHEMBL26040102

SCHEMBL26040102

COCCN1C(=O)CCc2cc(Br)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
BMPR1B O00238 2/20 0.35
BMPR1A P36894 2/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
PIK3CA P42336 1/20 0.35
TGFBR1 P36897 1/20 0.35
CXCR3 P49682 1/20 0.35
PDE4B Q07343 1/20 0.34
RIPK1 Q13546 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SRD5A1 P18405 1/20 0.33

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
SCHEMBL30404865 0.88 BMPR1B (0.42) BACE1ALDH1A1MAPTKMT2AMTOR
SCHEMBL21001814 0.88 BMPR1B (0.42) BACE1ALDH1A1MAPTKMT2AMTOR
SCHEMBL30507436 0.82 HDAC1 (0.36) ALDH1A1MAPTKMT2ABMPR1BBMPR1A
SCHEMBL25318355 0.82 HDAC1 (0.36) ALDH1A1MAPTKMT2ABMPR1BBMPR1A
SCHEMBL2051397 0.77 BMPR1B (0.50) BMPR1BBMPR1AACVRL1ACVR1PDE4B
SCHEMBL30404193 0.77 BMPR1B (0.50) BMPR1BBMPR1AACVRL1ACVR1PDE4B
SCHEMBL30062474 0.77 PARK7 (0.46) ALDH1A1MAPTKMT2AHDAC1HDAC8
SCHEMBL27138647 0.77 PARK7 (0.46) ALDH1A1MAPTKMT2AHDAC1HDAC8
SCHEMBL25316939 0.76 HDAC1 (0.34) BACE1ALDH1A1MAPTBMPR1BBMPR1A
SCHEMBL30506707 0.76 HDAC1 (0.34) BACE1ALDH1A1MAPTBMPR1BBMPR1A

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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR BACE1 35/4885ALDH1A1 2642/4885MAPT 244/4885

“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.