SCHEMBL4877798

SCHEMBL4877798

Brc1cc(Br)c2ccccc2c1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AGTR1 P30556 1/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
GFER P55789 1/20 0.37
TERT O14746 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NCF1 P14598 2/20 0.37
PRKDC P78527 1/20 0.37
ACHE P22303 1/20 0.37
ATM Q13315 2/20 0.36
AR P10275 1/20 0.36
MAPK1 P28482 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL3603644 0.78 AR (0.54) HPGDMEN1KMT2ATSHRALDH1A1
SCHEMBL17065833 0.76 HPGD (0.44) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL783698 0.72 HTR6 (0.71) HPGDMEN1KMT2AHTR6ALDH1A1
SCHEMBL9832349 0.72 MAPT (0.44) HPGDMEN1KMT2ATSHRALDH1A1
SCHEMBL3602624 0.71 HTR6 (0.69) HPGDMEN1KMT2ATSHRHTR6
SCHEMBL8582260 0.70 MEN1 (0.34) HPGDMEN1KMT2ATSHR
SCHEMBL3835653 0.66 ALDH1A1 (0.41) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL29763197 0.66 KEAP1 (0.54) HPGDMEN1KMT2ATSHRHTR6
SCHEMBL3975556 0.66 KEAP1 (0.54) HPGDMEN1KMT2ATSHRHTR6
SCHEMBL349252 0.65 ALDH1A1 (0.43) HPGDMEN1KMT2ATSHRALDH1A1

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
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 HPGD 233/4885MEN1 1329/4885KMT2A 1471/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA HPGD 227/4885MEN1 1278/4885KMT2A 1497/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 HPGD 233/4885MEN1 1329/4885KMT2A 1471/4885

“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.