SCHEMBL3218525

SCHEMBL3218525

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(CCCO)NC(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC1 Q13547 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3234241 0.96 RAB9A (0.42) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL4219712 0.92 UTS2R (0.39) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL4229101 0.89 ALDH1A1 (0.39) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL3218843 0.85 UTS2R (0.43) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL3229690 0.83 RAB9A (0.40) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL3830807 0.82 HDAC1 (0.46) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL4365544 0.82 HDAC1 (0.47) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL3218533 0.79 PDCD1 (0.43) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL4229796 0.79 HDAC1 (0.53) SMN1; SMN2RAB9ANPC1PKMMAPT
SCHEMBL3218892 0.78 QPCT (0.41) MAPTALDH1A1TP53PDCD1CD274

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 SMN1; SMN2 4844/4885RAB9A 1539/4885NPC1 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.