SCHEMBL12870230

SCHEMBL12870230

Brc1cccc(CNC2=NCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39

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
SCHEMBL9558509 0.89 ADRA2A (0.43) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL10438954 0.82 PIM1 (0.43) ADRA2AADRA2BADRA2C
SCHEMBL1178570 0.82 GSK3B (0.44) APPSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL2023829 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAOA
SCHEMBL1179041 0.76 MEP1B (0.43) SMN1; SMN2ADRA2AADRA2BADRA2CCYP1A2
SCHEMBL1178523 0.74 CFB (0.39) MAPK1HPGDL3MBTL1TDP1ADRA2A
SCHEMBL1178471 0.74 MEN1 (0.34) MAPK1EGFRALDH1A1HPGDL3MBTL1
SCHEMBL1179180 0.73 CYP2A13 (0.41) EGFRALDH1A1AURKARPS6KB1KDM1A
SCHEMBL1178466 0.71 MAPK1 (0.45) APPMAPK1ALOX15EGFRSMN1; SMN2
SCHEMBL4217069 0.69 ADRA2A (0.52) APPMAPK1EGFRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — WO 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-20110028523-A1 Selective Alpha 2B/2C Agonists ADRA2C, ADRA2B, ADRB2 APP 3300/4885MAPK1 3460/4885ALOX15 1914/4885

“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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