SCHEMBL3219213

SCHEMBL3219213

CCN(CC)CCCC(NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TMEM97 Q5BJF2 7/20 0.36
SIGMAR1 Q99720 7/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 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
SCHEMBL3223205 0.91 TMEM97 (0.39) TMEM97SIGMAR1CHRM2CHRM4HTR1A
SCHEMBL3230263 0.91 MCHR1 (0.41) SMN1; SMN2MEN1KMT2AMAPTTMEM97
SCHEMBL3234270 0.90 TMEM97 (0.38) TMEM97SIGMAR1CHRM2CHRM4HTR1A
SCHEMBL2385536 0.89 HDAC3 (0.43) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL3234623 0.88 TMEM97 (0.39) TMEM97SIGMAR1CHRM2CHRM4HTR1A
SCHEMBL3232026 0.87 TMEM97 (0.39) MEN1KMT2AMAPTTMEM97SIGMAR1
SCHEMBL4234564 0.87 UTS2R (0.40) SMN1; SMN2MEN1KMT2ATMEM97SIGMAR1
SCHEMBL3227819 0.87 TMEM97 (0.41) TMEM97SIGMAR1CHRM2CHRM4HTR1A
SCHEMBL3227174 0.84 UTS2R (0.41) MEN1KMT2ATMEM97SIGMAR1UTS2R
SCHEMBL2478032 0.84 UTS2R (0.41) SMN1; SMN2MEN1KMT2AMAPTLMNA

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 3 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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP 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 SMN1; SMN2 4844/4885MEN1 3719/4885KMT2A 305/4885

“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.