SCHEMBL412453

SCHEMBL412453

CN(Cc1ccccc1N1CCN(CCN2CCOCC2)CC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.38
HTR7 P34969 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL418211 0.94 KMT2A (0.44) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL415247 0.91 MEN1 (0.41) KDM4EALDH1A1KMT2AHTR7NPSR1
SCHEMBL414601 0.90 ALDH1A1 (0.40) KDM4EALDH1A1HTR7DRD2DRD4
SCHEMBL416317 0.89 NCF1 (0.37) KDM4EHSD17B10POLBALDH1A1KMT2A
SCHEMBL417731 0.86 KMT2A (0.45) KDM4EALDH1A1KMT2AHTR7DRD2
SCHEMBL415861 0.86 KDM4E (0.41) KDM4EHSD17B10POLBKMT2ATHRB
SCHEMBL419280 0.85 KMT2A (0.52) POLBALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL418901 0.85 ALDH1A1 (0.40) KDM4EHSD17B10POLBALDH1A1KMT2A
SCHEMBL413145 0.84 NPC1 (0.39) KDM4EPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL418219 0.83 NPC1 (0.35) KDM4EPOLBALDH1A1KMT2ASMN1; SMN2

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
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
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 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
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 KDM4E 674/4885HSD17B10 2029/4885POLB 444/4885

“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.