SCHEMBL5523199

SCHEMBL5523199

CCC1CNc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
GAA P10253 1/20 0.46
ADRA2A P08913 1/20 0.43
PNMT P11086 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPT P10636 5/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5522362 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1GAAADRA2A
SCHEMBL11563465 0.78 MAPT (0.43) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL22791481 0.78 CA2 (0.38) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL20786046 0.77 PNMT (0.44) KMT2AALDH1A1MEN1GAAADRA2A
SCHEMBL16823947 0.77 PNMT (0.44) KMT2AALDH1A1MEN1GAAADRA2A
SCHEMBL3948500 0.77 PNMT (0.44) KMT2AALDH1A1MEN1GAAADRA2A
SCHEMBL16715355 0.76 CHRNB4 (0.54) KMT2AALDH1A1MEN1ADRA2APNMT
Hydrochloric Acid SCHEMBL7557755 0.76 PNMT (0.50) KMT2AMEN1ADRA2APNMTADRA2B
SCHEMBL5518583 0.75 KMT2A (0.65) KMT2AALDH1A1MEN1GAAADRA2A
SCHEMBL7001029 0.74 KMT2A (0.55) KMT2AALDH1A1MEN1GAAADRA2A

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 8 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
CN-1391576-A Androgen receptor modulator compounds and methods LIGAND PHARM INC (US) 2003-01-15 CN 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 KMT2A 2059/4885ALDH1A1 1492/4885MEN1 2955/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR KMT2A 2059/4885ALDH1A1 1492/4885MEN1 2955/4885

“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.