SCHEMBL417293

SCHEMBL417293

Cc1ccc(-n2cccn2)c(CN(C)C(=O)CCCSc2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.37
AGTR1 P30556 1/20 0.36
MAPT P10636 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
ALDH1A1 P00352 4/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL417464 0.90 ALDH1A1 (0.40) MEN1KMT2AKDM4EMAPTHCRTR1
SCHEMBL418441 0.88 NPC1 (0.42) MEN1KMT2AKDM4EAGTR1MAPT
SCHEMBL417990 0.79 LMNA (0.43) MEN1KMT2ALMNARAB9A
SCHEMBL413866 0.75 RIPK1 (0.51) AGTR1MAPTALDH1A1RAB9A
SCHEMBL414383 0.74 LMNA (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL416307 0.73 RAB9A (0.41) MEN1KMT2AAGTR1ALDH1A1LMNA
SCHEMBL416480 0.73 BCHE (0.48) MEN1KMT2AAGTR1MAPTALDH1A1
SCHEMBL415495 0.73 NPC1 (0.45) MEN1KMT2ARAB9A
SCHEMBL412451 0.72 ACHE (0.54) MEN1KMT2ALMNARAB9A
SCHEMBL417118 0.71 BCHE (0.39) AGTR1MAPTALDH1A1RAB9A

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 MEN1 4868/4885KMT2A 2843/4885KDM4E 674/4885

“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.