SCHEMBL22364153

SCHEMBL22364153

COC(=O)CCc1cccc(-c2cncc(N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CYP11B2 P19099 3/20 0.44
CYP11B1 P15538 2/20 0.44
CNR2 P34972 1/20 0.43
PTPN1 P18031 2/20 0.41
BACE1 P56817 1/20 0.41
CDK8 P49336 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
FFAR1 O14842 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
SYK P43405 1/20 0.39
CCNC P24863 1/20 0.39

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
SCHEMBL22364176 0.81 CCNC (0.45) HDAC1SIRT2CYP11B2CYP11B1CNR2
SCHEMBL9456168 0.80 PTPN1 (0.55) SIRT2CYP11B2CYP11B1CNR2PTPN1
SCHEMBL22186888 0.80 HDAC1 (0.42) HDAC1SIRT2CYP11B2CYP11B1CDK8
SCHEMBL30701976 0.80 HDAC1 (0.42) HDAC1SIRT2CYP11B2CYP11B1CDK8
SCHEMBL23582210 0.79 BACE1 (0.40) CYP11B2CYP11B1BACE1CYP4F2CYP4A11
SCHEMBL23582627 0.79 ROCK2 (0.49) HDAC1SIRT2CNR2PTPN1SYK
SCHEMBL5033493 0.78 PTPN1 (0.54) SIRT2PTPN1FFAR1
SCHEMBL5039697 0.78 PTPN1 (0.54) SIRT2CYP11B2CYP11B1CNR2PTPN1
SCHEMBL1067199 0.78 SIRT2 (0.54) SIRT2CYP11B2CYP11B1PTPN1CYP4F2
SCHEMBL12087496 0.78 HDAC1 (0.52) HDAC1SIRT2CYP11B2CYP11B1PTPN1

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-10759799-B2 Indazole containing macrocycles and therapeutic uses thereof SAMUMED, LLC (US) 2020-09-01 US disclosed
US-10759799-B2 Indazole containing macrocycles and therapeutic uses thereof SAMUMED, LLC (US) 2020-09-01 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-10759799-B2 Indazole containing macrocycles and therapeutic uses thereof WNT1, WNT3, WNT3A HDAC1 164/4885SIRT2 892/4885CYP11B2 771/4885

“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.