SCHEMBL21783071

SCHEMBL21783071

COC(=O)c1cnc2c(c1)C[C@@](C)(c1cccc(F)c1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
NPY5R Q15761 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GABRA5 P31644 2/20 0.38
PSMD14 O00487 1/20 0.37
CDK8 P49336 1/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL21783066 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6NPY5R
SCHEMBL21783012 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6NPY5R
SCHEMBL21783025 0.89 NPY5R (0.43) HDAC3HDAC1HDAC2HDAC6NPY5R
SCHEMBL21783026 0.89 NPY5R (0.43) HDAC3HDAC1HDAC2HDAC6NPY5R
SCHEMBL21772816 0.89 NPY5R (0.43) HDAC3HDAC1HDAC2HDAC6NPY5R
SCHEMBL21783061 0.89 KMT2A (0.39) KMT2AMEN1NPC1RAB9APSMD14
SCHEMBL21783023 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL21782982 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL21782984 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL21783027 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 US disclosed
WO-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 WO disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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 (3 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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH HDAC3 3341/4885HDAC1 1745/4885HDAC2 925/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH HDAC3 3341/4885HDAC1 1745/4885HDAC2 925/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH HDAC3 3341/4885HDAC1 1745/4885HDAC2 925/4885

“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.