SCHEMBL3606022

SCHEMBL3606022

Cc1cc(C)c([N+](=O)[O-])c(C)c1NS(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
CA12 O43570 4/20 0.38
CA14 Q9ULX7 4/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CA2 P00918 1/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYTH2 Q99418 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT1 Q99873 1/20 0.32
LCK P06239 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL3608698 0.80 CA12 (0.41) CA12CA14CA1CA7CA2
SCHEMBL18519523 0.71 KMT2A (0.48) ALOX5CA12CA14CA1CA7
SCHEMBL3600720 0.68 KDM4E (0.45) MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6581358 0.67 LCK (0.45) SMN1; SMN2RAB9AMEN1KMT2APRMT1
SCHEMBL8237935 0.66 CA12 (0.50) CA12CA14CA1CA7CA2
SCHEMBL11688261 0.65 TDP1 (0.39) TRPM8MAPTCYTH2MEN1ALDH1A1
SCHEMBL6581353 0.65 LCK (0.46) SMN1; SMN2RAB9AMEN1KMT2APRMT1
SCHEMBL19776326 0.64 CYP1A2 (0.50) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16038956 0.64 CA12 (0.62) CA12CA14CA1CA7CA2
SCHEMBL4918988 0.64 TDP1 (0.52) TRPM8MAPTSMN1; SMN2MEN1ALDH1A1

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 ALOX5 692/4885CA12 2370/4885CA14 3164/4885

“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.