SCHEMBL415549

SCHEMBL415549

CN(Cc1ccccc1)C(=O)CCCCl

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 4/20 0.74
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.58
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
MAPK1 P28482 1/20 0.52
RIPK1 Q13546 1/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 1/20 0.50
TSPO P30536 1/20 0.50
CDK4 P11802 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL6403389 0.90 RAB9A (0.79) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL4072151 0.90 NPC1 (0.85) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL4074355 0.85 NPC1 (0.77) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL16831598 0.85 NPC1 (0.77) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL991685 0.82 RAB9A (0.72) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL8017184 0.82 NPC1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL5110210 0.82 NPC1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL7761239 0.82 NPC1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL14946877 0.82 NPC1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2CA12
SCHEMBL12290151 0.81 NPC1 (0.82) RAB9ANPC1KMT2ASMN1; SMN2CA12

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 5 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
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 RAB9A 646/4885NPC1 76/4885KMT2A 2843/4885

“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.