Sugi Predict

Sugi Predict / Compounds / SCHEMBL5786288

SCHEMBL5786288

SCHEMBL5786288

O=C=Nc1ccc(Br)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR6 P50406 2/20 0.33

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
SCHEMBL8110745 0.88 CYP3A4 (0.50) CYP3A4RXFP1ALDH1A1HPGDTDP1
SCHEMBL27066 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1PKM
SCHEMBL29405309 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1PKM
SCHEMBL11382980 0.81 CYP3A4 (0.45) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL28189098 0.81 CYP3A4 (0.45) CYP3A4ALDH1A1HPGDTDP1PKM
SCHEMBL2976682 0.80 ALDH1A1 (0.55) CYP3A4RXFP1ALDH1A1HPGDTDP1
SCHEMBL22210 0.78 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL29370250 0.78 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL11664855 0.76 CYP1A2 (0.52) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL1969589 0.76 CYP1A2 (0.52) CYP3A4ALDH1A1HPGDTDP1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414795-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 — — US disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 — — US disclosed
EP-1414795-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-05-06 — — EP disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 — — US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 — — US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 — — 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 (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-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CYP3A4 322/4885RXFP1 498/4885ALDH1A1 763/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CYP3A4 322/4885RXFP1 498/4885ALDH1A1 763/4885

“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.