SCHEMBL17974445

SCHEMBL17974445

CC(C)(C)OC(=O)NCC1Cc2cccc(Br)c2O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ NAMPT P43490 4/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RORC P51449 3/20 0.37
▸ ACACB O00763 3/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ MIF P14174 1/20 0.36

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
SCHEMBL15764934 0.87 DRD2 (0.43) DRD2NAMPTEPHX2RORCACACB
SCHEMBL5793270 0.86 DRD2 (0.46) DRD2NAMPTEPHX2MEN1KMT2A
SCHEMBL4232161 0.82 NFKB1 (0.36) MEN1NPC1RAB9AKMT2A
SCHEMBL15765023 0.78 MEN1 (0.38) DRD2NAMPTMEN1KMT2ARORC
SCHEMBL15765227 0.77 NAMPT (0.38) DRD2NAMPTEPHX2RORCACACB
SCHEMBL15764957 0.77 RORC (0.40) DRD2NAMPTMEN1RAB9AKMT2A
SCHEMBL5809553 0.77 EZH2 (0.44) DRD2NAMPTRORCACACBACACA
SCHEMBL17987846 0.77 RORC (0.41) DRD2NAMPTRORC
SCHEMBL4221927 0.76 AQP1 (0.48) DRD2
SCHEMBL8228747 0.75 DRD2 (0.46) DRD2NAMPTRORCACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 — — US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 — — US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 — — 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-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 DRD2 2012/4885NAMPT 2985/4885EPHX2 1662/4885

“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.

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