SCHEMBL3229690

SCHEMBL3229690

CCC(CC)(CN)C(NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 5/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL3222618 0.87 HDAC1 (0.39) RAB9ASMN1; SMN2NPC1MAPTHDAC1
SCHEMBL3226229 0.85 KIT (0.39) RAB9ASMN1; SMN2NPC1MAPTHDAC1
SCHEMBL4229101 0.84 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL3218525 0.83 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL4219712 0.81 UTS2R (0.39) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL3234241 0.78 RAB9A (0.42) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL4225149 0.72 HDAC1 (0.50) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL3830807 0.72 HDAC1 (0.46) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL3229651 0.72 RAB9A (0.40) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL3227875 0.72 RAB9A (0.41) RAB9ASMN1; SMN2NPC1PKMMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 RAB9A 1539/4885SMN1; SMN2 4844/4885NPC1 857/4885

“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.