SCHEMBL20340591

SCHEMBL20340591

O=[N+]([O-])c1cccc2ccc(N3CCOCC3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 5/20 0.47
CYP2C19 P33261 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CTSB P07858 1/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
PKM P14618 2/20 0.44
RAB9A P51151 1/20 0.44
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL9762583 0.81 ALDH1A1 (0.54) GAACYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL939117 0.76 ALDH1A1 (0.54) CYP1A2CYP2C9ALDH1A1HPGDMAPT
SCHEMBL30574858 0.76 ALDH1A1 (0.54) CYP1A2CYP2C9ALDH1A1HPGDMAPT
SCHEMBL2256829 0.76 MAPT (0.57) CYP1A2CYP2C9ALDH1A1HPGDMAPT
SCHEMBL27858227 0.76 ALDH1A1 (0.54) CYP1A2CYP2C9ALDH1A1HPGDMAPT
SCHEMBL2417790 0.76 MAPT (0.50) CYP1A2CYP2C9ALDH1A1HPGDMAPT
SCHEMBL29495981 0.76 GAA (0.68) GAAMAPTPOLBPIM1PIM2
SCHEMBL28722866 0.76 GAA (0.68) GAAMAPTPOLBPIM1PIM2
SCHEMBL15830277 0.76 GAA (0.68) GAAALDH1A1HPGDTDP1PIM1
SCHEMBL1041841 0.76 GAA (1.00) GAACYP1A2CYP2C9ALDH1A1HPGD

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
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 GAA 4189/4885CYP1A2 1479/4885CYP2C9 982/4885

“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.