SCHEMBL414985

SCHEMBL414985

O=C(O)CCCSc1ccc2ccccc2n1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.83
RXFP1 Q9HBX9 4/20 0.83
NPSR1 Q6W5P4 3/20 0.83
MAPK10 P53779 2/20 0.83
KDM4E B2RXH2 2/20 0.68
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
THRB P10828 1/20 0.52
CYSLTR2 Q9NS75 3/20 0.48
CYSLTR1 Q9Y271 3/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PTBP1 P26599 1/20 0.45
KCNK2 O95069 1/20 0.44

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
SCHEMBL9286381 0.91 PRNP (1.00) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL1613311 0.81 PRNP (1.00) PRNPRXFP1NPSR1MAPK10KDM4E
Hydrochloric Acid SCHEMBL7960964 0.80 PRNP (0.97) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL10785085 0.74 ALDH1A1 (0.51) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL10746999 0.74 HTR1A (0.53) PRNPRXFP1NPSR1MAPK10RAB9A
SCHEMBL31555106 0.74 ALDH1A1 (0.47) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL12795599 0.74 PRNP (0.61) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL10424110 0.74 PRNP (0.61) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL11880338 0.73 PRNP (0.73) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL29912526 0.73 PRNP (0.73) PRNPRXFP1NPSR1MAPK10KDM4E

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 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 PRNP 495/4885RXFP1 4732/4885NPSR1 3774/4885

“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.