SCHEMBL3223631

SCHEMBL3223631

CN1CCN(CCCC(NC(=O)Nc2cccc(F)c2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KIT P10721 1/20 0.38
DDR2 Q16832 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
ALK Q9UM73 1/20 0.36
FGFR1 P11362 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
KDM1A O60341 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
MTOR P42345 1/20 0.35
MCHR1 Q99705 1/20 0.35
EPHX2 P34913 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CSF1R P07333 1/20 0.35
FLT3 P36888 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL3225585 0.96 ALDH1A1 (0.42) ALDH1A1KITDDR2RXFP1ALK
SCHEMBL3225124 0.92 LMNA (0.40) KITFGFR1ABL1SRCMCHR1
SCHEMBL3231643 0.89 CSF1R (0.38) FGFR1ABL1SRCCSF1RFLT3
SCHEMBL3234395 0.87 LMNA (0.41) ABL1SRCHTR2AHTR2CMCHR1
SCHEMBL3226027 0.86 UTS2R (0.42) KITDDR2RXFP1MTORMCHR1
SCHEMBL3230267 0.86 UTS2R (0.41) KITDDR2RXFP1MTORMCHR1
SCHEMBL3235363 0.85 CCR5 (0.38) ALDH1A1MCHR1
SCHEMBL3232026 0.85 TMEM97 (0.39) KITDDR2RXFP1ALKFGFR1
SCHEMBL3262063 0.85 UTS2R (0.41) KITDDR2RXFP1MTORMCHR1
SCHEMBL3235294 0.85 CASR (0.44) EPHX2

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 ALDH1A1 1686/4885KIT 1662/4885DDR2 3938/4885

“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.