SCHEMBL3609811

SCHEMBL3609811

COc1c(C)cc(NC(=O)C2c3cc([N+](=O)[O-])ccc3CCN2C(=O)CC(C)(C)C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RORC P51449 3/20 0.37
GHSR Q92847 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL3616058 0.90 KMT2A (0.38) MEN1KMT2AALDH1A1GHSRCYP1A2
SCHEMBL5274785 0.87 RORC (0.39) RORCGHSR
Hydrochloric Acid SCHEMBL3606025 0.86 RORC (0.38) RORCGHSRCYP2D6
SCHEMBL3608522 0.82 LMNA (0.38) MEN1KMT2AALDH1A1GHSRCYP1A2
SCHEMBL3612561 0.81 GHSR (0.44) MEN1KMT2AALDH1A1GHSRCYP1A2
SCHEMBL3612271 0.80 KMT2A (0.36) MEN1KMT2AALDH1A1RORCLMNA
SCHEMBL3614824 0.76 GHSR (0.37) RORCGHSR
Hydrochloric Acid SCHEMBL3608128 0.75 GHSR (0.36) RORCGHSR
SCHEMBL3613414 0.73 RORC (0.37) RORCGHSRDRD2
Hydrochloric Acid SCHEMBL3605940 0.73 GHSR (0.35) MEN1KMT2ARORCGHSR

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT MEN1 4401/4885KMT2A 343/4885ALDH1A1 88/4885

“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.