SCHEMBL5006299

SCHEMBL5006299

Cc1c(N)ccc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
GPR35 Q9HC97 5/20 0.50
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 6/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 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
SCHEMBL1683191 0.82 TSHR (0.57) TSHRALDH1A1TDP1CYP3A4MEN1
SCHEMBL10880389 0.80 GPR35 (0.54) TSHRGPR35ALDH1A1TDP1CYP3A4
SCHEMBL2056814 0.80 TSHR (0.60) TSHRALDH1A1TDP1CYP3A4MEN1
SCHEMBL3280548 0.80 GPR35 (0.54) TSHRGPR35ALDH1A1TDP1CYP3A4
SCHEMBL1369143 0.80 GPR35 (0.54) TSHRGPR35ALDH1A1TDP1CYP3A4
SCHEMBL1635417 0.78 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4MEN1
SCHEMBL30857795 0.78 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4MEN1
SCHEMBL28065463 0.78 TSHR (0.53) TSHRGPR35ALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL28240513 0.78 GPR35 (0.52) TSHRGPR35ALDH1A1TDP1CYP3A4
SCHEMBL38652666 0.77 TDP1 (0.52) TSHRGPR35ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390923-B2 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2008-06-24 US disclosed
US-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators ORION CORPORATION (FI) 2007-05-31 US disclosed
EP-1641745-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS Orion Corporation (FI) 2006-04-05 EP disclosed
WO-2005000794-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2005-01-06 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 (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-20070123512-A1 Propionamide derivatives useful as androgen receptor modulators NR5A1, FSHR, GNRHR TSHR 70/4885GPR35 47/4885ALDH1A1 913/4885

“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.