SCHEMBL5519181

SCHEMBL5519181

CC(C)CN1CCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AR P10275 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CCR6 P51684 1/20 0.39
RAB9A P51151 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL5518656 0.85 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2AR
SCHEMBL5519155 0.83 GAA (0.47) MAPTALDH1A1LMNASMN1; SMN2AR
SCHEMBL20175319 0.81 GAA (0.43) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL23804988 0.81 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL30132895 0.81 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL17505042 0.81 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL17505043 0.80 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9428128 0.80 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL499016 0.80 NOS3 (0.48) MAPTALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL24629988 0.80 SMN1; SMN2 (0.39) MAPTALDH1A1LMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885ALDH1A1 1492/4885LMNA 3642/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885ALDH1A1 1492/4885LMNA 3642/4885

“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.