SCHEMBL3608522

SCHEMBL3608522

CC(=O)Oc1c(C)cc(NC(=O)C2c3cc([N+](=O)[O-])ccc3CCN2C(=O)C(C)(C)C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GHSR Q92847 1/20 0.36
GAA P10253 2/20 0.35
WDR5 P61964 2/20 0.34
DRD2 P14416 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
AKR1C3 P42330 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 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
SCHEMBL3612561 0.91 GHSR (0.44) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3612271 0.85 KMT2A (0.36) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3600711 0.84 CTSS (0.37) NPC1HTTRAB9ADRD2ALDH1A1
SCHEMBL3612843 0.82 GHSR (0.35) LMNAMEN1KMT2AGHSR
SCHEMBL3609811 0.82 MEN1 (0.39) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3617245 0.79 HTT (0.42) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3604720 0.78 MAPT (0.38) LMNAKMT2ANPC1MAPTHTT
SCHEMBL3613409 0.78 DRD2 (0.30) GHSRDRD2
SCHEMBL3616058 0.77 KMT2A (0.38) LMNAMEN1KMT2AMAPTHTT
SCHEMBL3610528 0.77 GHSR (0.30) GHSR

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

“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.