SCHEMBL5124425

SCHEMBL5124425

CC(C)(CO)Nc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 5/20 0.39
CYP3A4 P08684 4/20 0.39
AR P10275 4/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PGR P06401 1/20 0.39
CTSB P07858 1/20 0.38
EGFR P00533 1/20 0.38
ADRB2 P07550 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL5130515 0.85 ALDH1A1 (0.52) MAPTCYP3A4ARLMNACYP1A2
SCHEMBL5128049 0.82 AR (0.61) CYP3A4ARLMNACYP1A2CYP2C9
SCHEMBL18630865 0.77 CYP3A4 (0.41) MAPTCYP3A4ARLMNACYP1A2
SCHEMBL8065690 0.76 GPR35 (0.56) GPR35SIRT6MAPTCYP3A4LMNA
Hydrochloric Acid SCHEMBL28214254 0.74 GPR35 (0.55) GPR35SIRT6MAPTCYP3A4LMNA
SCHEMBL2467881 0.74 GPR35 (0.50) GPR35MAPTCYP3A4LMNACYP1A2
SCHEMBL9148689 0.73 GPR35 (0.53) GPR35SIRT6MAPTCYP3A4LMNA
SCHEMBL9297681 0.73 GPR35 (0.56) GPR35SIRT6MAPTCYP3A4LMNA
SCHEMBL8884901 0.72 MAPT (0.50) MAPTCYP3A4LMNACYP1A2CYP2C9
SCHEMBL358355 0.72 HTT (0.63) GPR35MAPTLMNAHTTALDH1A1

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-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US claimed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 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-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR GPR35 135/4885SIRT6 2670/4885MAPT 3258/4885

“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.