SCHEMBL2929331

SCHEMBL2929331

Cc1ccc(Br)c(O)c1C(=O)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ HPGD P15428 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ REN P00797 4/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL16731359 0.79 SIGMAR1 (0.54) SIGMAR1HPGDHRH4RXFP1KMT2A
SCHEMBL6844880 0.72 CYP3A4 (0.42) HPGDTSHRKMT2A
SCHEMBL14146012 0.72 MGLL (0.56) SIGMAR1HPGDTSHRHSP90AA1
SCHEMBL12845076 0.72 RXFP1 (0.56) SIGMAR1HPGDHRH4RXFP1KMT2A
SCHEMBL8569059 0.71 SIGMAR1 (0.58) SIGMAR1HPGDHRH4RXFP1REN
SCHEMBL12311741 0.71 HPGD (0.65) SIGMAR1HPGDHRH4TSHR
SCHEMBL19869975 0.71 RXFP1 (0.48) SIGMAR1HPGDHRH4TSHRRXFP1
SCHEMBL14174297 0.70 RXFP1 (0.50) SIGMAR1HRH4RXFP1HSP90AA1
SCHEMBL5180736 0.69 HTT (0.70) SIGMAR1HPGDHRH4RXFP1KMT2A
SCHEMBL31520498 0.69 HTT (0.70) SIGMAR1HPGDHRH4RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 — — EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 — — 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 SIGMAR1 1647/4885HPGD 3066/4885HRH4 1833/4885

“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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