SCHEMBL3966748

SCHEMBL3966748

Cc1c(NCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPT P10636 5/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ CYP2C9 P11712 5/20 0.56
▸ CYP2C19 P33261 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ EGFR P00533 1/20 0.51
▸ HTR6 P50406 1/20 0.50

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
SCHEMBL6927256 0.92 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL3959791 0.88 MAPT (0.53) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL102602 0.85 MAPT (0.77) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL7178613 0.82 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL26914710 0.82 MAPT (0.58) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL19700169 0.81 MAPT (0.56) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
Nitric Acid SCHEMBL29049200 0.81 MAPT (0.55) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL3970361 0.81 MAPT (0.48) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL7164868 0.80 MAPT (0.84) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL10360050 0.80 MAPT (0.73) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 — — EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 — — US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 — — 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 ALDH1A1 1310/4885MAPT 4677/4885L3MBTL1 3445/4885

“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.

Send feedback