SCHEMBL6375437

SCHEMBL6375437

C[C@@H](NC1=NCCO1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.43
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KCNH3 Q9ULD8 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 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
SCHEMBL1784726 0.78 TAAR1 (0.50) MAPTCYP1A2CYP3A4TSHRL3MBTL1
SCHEMBL9883869 0.78 TAAR1 (0.50) MAPTCYP1A2CYP3A4TSHRL3MBTL1
SCHEMBL11065465 0.70 ALDH1A1 (0.50) CRHBPCRHR2MAPTCYP1A2CYP3A4
SCHEMBL6375440 0.70 HRH3 (0.43) MAPTTSHRMEN1KMT2APOLB
SCHEMBL8285058 0.69 ALDH1A1 (0.53) CRHBPCRHR2MAPTCYP1A2CYP3A4
SCHEMBL7240855 0.69 ALDH1A1 (0.53) CRHBPCRHR2MAPTCYP1A2CYP3A4
SCHEMBL16487923 0.69 MAPT (0.49) CRHBPCRHR2MAPTCYP1A2CYP3A4
SCHEMBL8286047 0.69 ALDH1A1 (0.53) CRHBPCRHR2MAPTCYP1A2CYP3A4
SCHEMBL7860138 0.69 CRHBP (0.58) CRHBPCRHR2MAPTKCNH3MAPK1
SCHEMBL5611161 0.67 NOTUM (0.44) MAPTL3MBTL1ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119461-A1 Novel receptor, and compounds which bind thereto THE UNIVERSITY OF MELBOURNE 2005-06-02 — — 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-20050119461-A1 Novel receptor, and compounds which bind thereto GPR27, GPR174, GPR52 IDH1 4498/4885CRHBP 837/4885CRHR2 401/4885

“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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