SCHEMBL416024

SCHEMBL416024

COc1ccc2c(c1)N(C(=O)CCCCl)CC2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.55
MAPT P10636 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 5/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 5/20 0.54
NOTUM Q6P988 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
XIAP P98170 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6962584 0.92 BIRC2 (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27165463 0.87 BIRC2 (0.60) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30911987 0.86 BIRC2 (0.54) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30912010 0.85 NOTUM (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL415731 0.82 MAPT (0.52) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10283935 0.81 MAPT (0.53) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6960928 0.81 BIRC2 (0.58) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL26691241 0.80 NOTUM (0.58) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL417408 0.80 MAPT (0.54) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27165447 0.80 BIRC2 (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1

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 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
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
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 BIRC2 941/4885MAPT 3216/4885RAB9A 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.