SCHEMBL22600052

SCHEMBL22600052

CCCCC(C)(CCCC)Nc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL25857253 0.78 GAA (0.46) CYP2C19MEN1KMT2AGAAHTT
SCHEMBL12233464 0.75 POLB (0.53) POLBCYP1A2CYP2C19LMNACYP2C9
SCHEMBL23633882 0.74 GAA (0.46) GAAHTTHDAC3HDAC1HDAC2
SCHEMBL20716198 0.74 CNR2 (0.39) HDAC3HDAC1HDAC2
SCHEMBL25070756 0.72 SPHK2 (0.33) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL21790580 0.71 NAAA (0.41) POLBCYP2D6LMNAHTTSMN1; SMN2
SCHEMBL23819890 0.71 GAA (0.44) CYP2C19GAAHTTHDAC3HDAC1
SCHEMBL22692559 0.71 ESR1 (0.42) POLBCYP1A2CYP2C19CYP2D6LMNA
SCHEMBL12981588 0.71 CNR2 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22600030 0.69 EPHX1 (0.47) LMNAMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 — — 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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 POLB 1874/4885CYP1A2 545/4885CYP2C19 310/4885

“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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