SCHEMBL2442864

SCHEMBL2442864

Nc1ccc(NC(=O)C2CCCN2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
PABPC1 P11940 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
EP300 Q09472 1/20 0.48
CREBBP Q92793 1/20 0.48
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47

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
SCHEMBL4799610 0.87 ALDH1A1 (0.64) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL4799596 0.87 ALDH1A1 (0.64) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL3106237 0.86 RHOC (0.62) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL3106245 0.86 RHOC (0.62) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL38658435 0.85 LMNA (0.61) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL4742813 0.82 ALDH1A1 (0.60) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL4978089 0.82 ALDH1A1 (0.67) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL16495812 0.82 CYP2C9 (0.51) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL7974108 0.82 DPP4 (0.53) HTTCYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL4096438 0.82 HTT (0.67) HTTCYP2C9CYP2C19ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
EP-2367824-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010075376-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 WO disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTT 1821/4885CYP2C9 3780/4885CYP2C19 4120/4885

“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.