SCHEMBL418725

SCHEMBL418725

CN(C(=O)CCCn1cc(-c2ccc(F)cc2)cn1)c1nccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
RPLP1 P05386 1/20 0.45
RPLP0 P05388 1/20 0.45
RPS17 P08708 1/20 0.45
RPSA P08865 1/20 0.45
RPS2 P15880 1/20 0.45
RPL35A P18077 1/20 0.45
RPL7 P18124 1/20 0.45
RPL17 P18621 1/20 0.45
RPS4Y1 P22090 1/20 0.45
RPS3 P23396 1/20 0.45
RPS12 P25398 1/20 0.45
RPL13 P26373 1/20 0.45
RPL10 P27635 1/20 0.45
RPL12 P30050 1/20 0.45
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 1/20 0.45
RPL22 P35268 1/20 0.45
RPL4 P36578 1/20 0.45
RPS19 P39019 1/20 0.45
RPL3 P39023 1/20 0.45

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
SCHEMBL417854 0.79 KMT2A (0.41) CCNCCDK8FLT3MYLKAURKB
SCHEMBL416131 0.74 CNR2 (0.35) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL414600 0.71 SMN1; SMN2 (0.52) PDK2CREBBP
SCHEMBL416691 0.69 PLA2G7 (0.46) PLA2G7
SCHEMBL417189 0.66 PLA2G7 (0.47) PLA2G7
SCHEMBL562604 0.65 L3MBTL1 (0.53) PDK2
SCHEMBL415358 0.65 PLA2G7 (0.42) CCNCCDK8PDK2PLA2G7
SCHEMBL418475 0.65 POLB (0.43) CCNCCDK8HCRTR1HCRTR2PLA2G7
SCHEMBL2990336 0.65 CNR2 (0.48) KCNH2
SCHEMBL411690 0.64 ALDH1A1 (0.46) KCNH2RPLP1RPLP0RPS17RPSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 KCNH2 4768/4885RPLP1 1251/4885RPLP0 185/4885

“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.