SCHEMBL3230263

SCHEMBL3230263

CCN(CC)CCCC(NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
TMEM97 Q5BJF2 7/20 0.39
SIGMAR1 Q99720 7/20 0.39
UTS2R Q9UKP6 2/20 0.38
S1PR3 Q99500 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGFR P00533 3/20 0.37
P2RX3 P56373 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL3223205 0.95 TMEM97 (0.39) TMEM97SIGMAR1UTS2RS1PR3P2RX3
SCHEMBL3234270 0.94 TMEM97 (0.38) TMEM97SIGMAR1UTS2RS1PR3P2RX3
SCHEMBL3234623 0.91 TMEM97 (0.39) TMEM97SIGMAR1UTS2RCHRM2CHRM4
SCHEMBL3232026 0.91 TMEM97 (0.39) TMEM97SIGMAR1UTS2RKDRCHRM2
SCHEMBL3227819 0.91 TMEM97 (0.41) TMEM97SIGMAR1CHRM2CHRM4HTR1A
SCHEMBL4234564 0.91 UTS2R (0.40) TMEM97SIGMAR1UTS2RS1PR3SMN1; SMN2
SCHEMBL3219213 0.91 SMN1; SMN2 (0.38) TMEM97SIGMAR1UTS2RS1PR3SMN1; SMN2
SCHEMBL3227174 0.87 UTS2R (0.41) MCHR1TMEM97SIGMAR1UTS2RMEN1
SCHEMBL3227966 0.86 UTS2R (0.42) UTS2RS1PR3P2RX3
SCHEMBL4234963 0.86 KIT (0.40) TMEM97SIGMAR1UTS2RKDRCHRM2

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 MCHR1 3566/4885TMEM97 3579/4885SIGMAR1 4153/4885

“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.