SCHEMBL12433120

SCHEMBL12433120

Cc1ccc2c([N+](=O)[O-])c(-c3ccccc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.56
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HSP90AA1 P07900 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ MAOB P27338 4/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ CYP1A2 P05177 1/20 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
SCHEMBL6241860 0.81 TSHR (0.59) HPRT1CYP3A4TSHRHSP90AA1CRHBP
SCHEMBL2311981 0.80 CYP3A4 (0.45) HPRT1CYP3A4TSHRESR1ESR2
SCHEMBL11208992 0.78 TSHR (0.64) CYP3A4TSHRHSP90AA1CRHBPCRHR2
SCHEMBL2312823 0.78 PTGS2 (0.50) CYP3A4ALDH1A1PTGS2CYP1A2
SCHEMBL26933730 0.75 ESR1 (0.63) CYP3A4TSHRHSP90AA1CRHBPCRHR2
SCHEMBL6142083 0.75 CYP3A4 (0.73) HPRT1CYP3A4TSHRHSP90AA1CRHBP
SCHEMBL29236231 0.75 ALDH1A1 (0.59) HPRT1CYP3A4TSHRCRHBPCRHR2
SCHEMBL2960968 0.74 ALDH1A1 (0.61) HPRT1CYP3A4TSHRCRHBPCRHR2
SCHEMBL2960948 0.71 ALDH1A1 (0.61) HPRT1CYP3A4TSHRCRHBPCRHR2
SCHEMBL27706319 0.71 HPRT1 (0.53) HPRT1CYP3A4TSHRESR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 — — EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 — — US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 — — US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 — — US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 — — 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 HPRT1 905/4885CYP3A4 286/4885TSHR 1786/4885

“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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