SCHEMBL5522362

SCHEMBL5522362

CC1CNc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.43
AKR1B1 P15121 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
PNMT P11086 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
MAPK1 P28482 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
SCHEMBL11985044 0.88 AKR1B1 (0.45) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL18359151 0.88 AKR1B1 (0.45) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5523199 0.83 KMT2A (0.47) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10514925 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL11563465 0.75 MAPT (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2827710 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5514499 0.75 KMT2A (0.56) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL7345041 0.74 CREBBP (0.46) ALDH1A1KMT2AGAAMAPTAKR1B1
SCHEMBL22791448 0.74 CREBBP (0.46) ALDH1A1KMT2AGAAMAPTAKR1B1
SCHEMBL28624818 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAMAPT

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-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
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (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 ALDH1A1 1492/4885MEN1 2955/4885KMT2A 2059/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR ALDH1A1 1492/4885MEN1 2955/4885KMT2A 2059/4885

“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.