SCHEMBL3963525

SCHEMBL3963525

Cc1c(NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ ATM Q13315 1/20 0.62
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ MAPT P10636 4/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALOX12 P18054 1/20 0.47

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
SCHEMBL7067632 0.95 HPGD (0.61) HPGDTDP1ALDH1A1KMT2AATM
SCHEMBL3967775 0.93 KMT2A (0.64) HPGDTDP1ALDH1A1KMT2AATM
SCHEMBL7067634 0.80 HPGD (0.54) HPGDTDP1ALDH1A1KMT2AATM
SCHEMBL3966748 0.77 ALDH1A1 (0.60) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL15306503 0.75 RAB9A (0.69) HPGDTDP1ALDH1A1KMT2AATM
SCHEMBL6933847 0.73 KMT2A (0.47) HPGDALDH1A1KMT2AATMMEN1
SCHEMBL6927256 0.73 ALDH1A1 (0.53) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3959791 0.72 MAPT (0.53) HPGDTDP1ALDH1A1KMT2ANPC1
SCHEMBL29003683 0.71 MAPT (0.62) HPGDTDP1ALDH1A1KMT2ANPC1
SCHEMBL25258767 0.71 MAPT (0.54) TDP1ALDH1A1KMT2ANPC1RAB9A

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 HPGD 1077/4885TDP1 3952/4885ALDH1A1 1310/4885

“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.

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