SCHEMBL3612271

SCHEMBL3612271

CCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RORC P51449 5/20 0.35
MTNR1B P49286 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL3602849 0.87 RORC (0.36) MAPTTP53RORCMTNR1B
SCHEMBL3614097 0.86 RORC (0.37) MAPTTP53RORCMTNR1B
SCHEMBL3599872 0.86 GHSR (0.33) RORC
SCHEMBL3608522 0.85 LMNA (0.38) KMT2ALMNAMEN1NPC1MAPT
SCHEMBL3612561 0.85 GHSR (0.44) KMT2ALMNAMEN1NPC1MAPT
SCHEMBL3595620 0.84 RORC (0.38) MAPTTP53RORCMTNR1B
SCHEMBL3609714 0.83 RORC (0.36) RORCMTNR1B
SCHEMBL3605281 0.83 GHSR (0.47)
SCHEMBL3602757 0.82 HRH3 (0.40) LMNATP53RORCALDH1A1
SCHEMBL3607481 0.80 TMEM97 (0.37) LMNAMAPTMTNR1B

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 KMT2A 343/4885LMNA 4557/4885MEN1 4401/4885

“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.