SCHEMBL3608726

SCHEMBL3608726

Cc1cc(C(=O)O)ccc1NC(=O)C1c2cc(N(C)C)ccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.36
HDAC6 Q9UBN7 3/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GHSR Q92847 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL3601140 0.86 F11 (0.48) F11NPC1RAB9ATRPM8
SCHEMBL3602396 0.85 F11 (0.33) F11HDAC6LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL3606880 0.85 F11 (0.33) F11HDAC6LMNAKMT2AMEN1
SCHEMBL3608852 0.83 CYP3A4 (0.37) HDAC6ALDH1A1LMNASMN1; SMN2
SCHEMBL3608297 0.77 RIPK1 (0.32) F11RAB9A
SCHEMBL3602362 0.77 XIAP (0.33) HDAC6KMT2A
Hydrochloric Acid SCHEMBL3604099 0.77 F11 (0.31) F11RAB9A
Hydrochloric Acid SCHEMBL3611881 0.77 XIAP (0.32) KMT2A
SCHEMBL3608276 0.76 RAB9A (0.53) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL3613409 0.74 DRD2 (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 F11 4805/4885HDAC6 15/4885KDM4E 1197/4885

“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.