SCHEMBL3226053

SCHEMBL3226053

CN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)CC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
DRD2 P14416 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
CSF1R P07333 1/20 0.31
FLT3 P36888 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3232056 0.96 TSHR (0.34) ABL1SRCDRD2SUCNR1CSF1R
SCHEMBL10476411 0.95 CSF1R (0.31) ABL1SRCCSF1RFLT3
SCHEMBL3835728 0.92 KDM1A (0.36) DRD2SUCNR1ALDH1A1GAALMNA
SCHEMBL10476409 0.92 TSHR (0.32) ABL1SRCCSF1RFLT3ALDH1A1
SCHEMBL3232062 0.92 ROCK2 (0.33) DRD2TSHRROCK2KDM1A
SCHEMBL3221274 0.91 USP2 (0.40) ALDH1A1GAALMNATHRBPOLB
SCHEMBL1496852 0.91 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL3230027 0.91 USP2 (0.38) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL3234655 0.90 USP2 (0.33) ABL1SRCTSHRKDM1A
SCHEMBL3235136 0.90 USP2 (0.38) ALDH1A1GAALMNATHRBMAPK1

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-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
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 ABL1 4507/4885SRC 3425/4885DRD2 4757/4885

“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.