SCHEMBL17645962

SCHEMBL17645962

O=C(O)NC1(c2ccc(Br)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DGAT1 O75907 1/20 0.40
PDE2A O00408 3/20 0.40
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
FPR2 P25090 1/20 0.35
PTGFR P43088 2/20 0.35
HDAC4 P56524 2/20 0.35
CTSL P07711 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL22657409 0.81 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL34469713 0.79 AAK1 (0.45) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL5517439 0.79 AAK1 (0.45) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL2147161 0.78 HTT (0.42) NPC1LMNASMN1; SMN2KMT2ACTSL
SCHEMBL1345974 0.78 HDAC4 (0.43) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL29581091 0.76 DGAT1 (0.43) DGAT1NPC1ALDH1A1RAB9ALMNA
SCHEMBL351360 0.76 DGAT1 (0.43) DGAT1NPC1ALDH1A1RAB9ALMNA
SCHEMBL29993320 0.75 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL4964802 0.74 DGAT1 (0.42) DGAT1NPC1ALDH1A1RAB9ALMNA
SCHEMBL28369708 0.73 HDAC4 (0.43) DGAT1NPC1ALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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 (7 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN HDAC3 1259/4885HDAC1 1965/4885HDAC2 938/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN HDAC3 1658/4885HDAC1 2286/4885HDAC2 1111/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN HDAC3 1259/4885HDAC1 1965/4885HDAC2 938/4885
US-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 HDAC3 1843/4885HDAC1 1162/4885HDAC2 1590/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 HDAC3 1946/4885HDAC1 1196/4885HDAC2 1628/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 HDAC3 1946/4885HDAC1 1196/4885HDAC2 1628/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 HDAC3 1843/4885HDAC1 1162/4885HDAC2 1590/4885

“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.