SCHEMBL415861

SCHEMBL415861

CN(Cc1ccccc1CN1CCOCC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP2A13 Q16696 4/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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 0.86 KMT2A (0.44) KDM4ESMN1; SMN2RAB9ANPC1USP2
SCHEMBL412453 0.86 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL2484060 0.81 MEN1 (0.37) KDM4ESMN1; SMN2RAB9ANPC1POLB
SCHEMBL419661 0.80 RAB9A (0.43) RAB9ANPC1LMNAMAPTTHRB
SCHEMBL417731 0.79 KMT2A (0.45) KDM4ERAB9ANPC1ATMKMT2A
SCHEMBL414368 0.79 ALDH1A1 (0.40) RAB9ANPC1LMNAKMT2A
SCHEMBL414300 0.79 BCHE (0.48) KDM4ESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL411317 0.78 NPC1 (0.45) RAB9ANPC1KMT2A
SCHEMBL413187 0.78 L3MBTL1 (0.41) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL415110 0.78 TDP1 (0.48) KDM4ERAB9ANPC1ATMKMT2A

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 674/4885SMN1; SMN2 4050/4885RAB9A 646/4885

“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.