SCHEMBL4222682

SCHEMBL4222682

CCN(CC)CCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
RECQL P46063 1/20 0.36
HDAC1 Q13547 2/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
POLB P06746 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 1/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
P2RX3 P56373 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL3223180 0.91 HDAC1 (0.38) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL3230283 0.90 KDM4E (0.41) SMN1; SMN2LMNAHDAC1GAATMEM97
SCHEMBL4229510 0.90 HDAC1 (0.37) LMNAMEN1KMT2AALDH1A1HDAC1
SCHEMBL2385526 0.89 HDAC1 (0.43) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL3222593 0.87 HDAC1 (0.40) SMN1; SMN2LMNAMEN1KMT2AHDAC1
SCHEMBL3234590 0.87 HSD17B10 (0.41) LMNAALDH1A1HDAC1POLBKDM4E
SCHEMBL3231996 0.87 MAPT (0.39) SMN1; SMN2ALDH1A1HDAC1MAPTHTT
SCHEMBL3227792 0.86 CHRM2 (0.37) LMNAALDH1A1HDAC1MAPTHTT
SCHEMBL3231767 0.84 ROCK2 (0.41) SMN1; SMN2KMT2AHDAC1GAAP2RX3
SCHEMBL3832833 0.83 HDAC1 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
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 (2 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA SMN1; SMN2 4376/4885LMNA 2299/4885MEN1 4788/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 SMN1; SMN2 4844/4885LMNA 1819/4885MEN1 3719/4885

“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.