SCHEMBL3600720

SCHEMBL3600720

CC(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21608252 0.86 MAPT (0.42) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL21608727 0.84 HTT (0.47) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5202826 0.81 GAA (0.49) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6579464 0.80 SMN1; SMN2 (0.43) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18622118 0.80 ALDH1A1 (0.50) GAASMN1; SMN2ALDH1A1HPGDPTPRB
SCHEMBL7224067 0.78 ALDH1A1 (0.41) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5203453 0.78 GAA (0.56) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL31569422 0.78 MAPT (0.43) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL3597390 0.77 SMN1; SMN2 (0.51) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL11688261 0.77 TDP1 (0.39) MAPTGAAALDH1A1LMNACYP1A2

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 KDM4E 1197/4885MAPT 260/4885GAA 364/4885

“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.