SCHEMBL21130547

SCHEMBL21130547

O=c1c(Br)cccn1CCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.40
HDAC4 P56524 8/20 0.40
HDAC1 Q13547 8/20 0.40
HDAC7 Q8WUI4 8/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC10 Q969S8 8/20 0.40
HDAC11 Q96DB2 8/20 0.40
HDAC8 Q9BY41 8/20 0.40
HDAC6 Q9UBN7 8/20 0.40
HDAC9 Q9UKV0 8/20 0.40
HDAC5 Q9UQL6 8/20 0.40
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ADORA2B P29275 2/20 0.36
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1129736 0.95 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23863507 0.84 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21595152 0.78 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL608253 0.78 CNR2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12263459 0.74 HTR2C (0.44) ALDH1A1MAPTNPC1
SCHEMBL12859678 0.74 PARP1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1130229 0.74 PKM (0.46) ADORA2BVEGFAEGLN1MAPTCNR1
SCHEMBL1441164 0.73 ALDH1A1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16899407 0.73 MAPK14 (0.53) HDAC8HDAC6VEGFAEGLN1ALDH1A1
SCHEMBL7459341 0.72 L3MBTL1 (0.54) ADORA2BTSHRRAB9ANPC1SMN1; SMN2

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
CN-109689640-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-01-04 CN disclosed
EP-3481815-B1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 EP disclosed
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2020-03-17 US disclosed
US-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-20 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 (2 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-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS CD74, CD2, HAVCR2 HDAC3 2713/4885HDAC4 2917/4885HDAC1 1355/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 HDAC3 2713/4885HDAC4 2917/4885HDAC1 1355/4885

“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.