SCHEMBL418211

SCHEMBL418211

CN(Cc1ccccc1N1CCOCC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL412453 0.94 KDM4E (0.42) KMT2ASMN1; SMN2ALDH1A1NPC1USP2
SCHEMBL419280 0.91 KMT2A (0.52) KMT2ASMN1; SMN2ALDH1A1RECQLL3MBTL1
SCHEMBL416317 0.89 NCF1 (0.37) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL413145 0.88 NPC1 (0.39) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL418901 0.87 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL418219 0.87 NPC1 (0.35) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL415861 0.86 KDM4E (0.41) KMT2ASMN1; SMN2L3MBTL1NPC1USP2
SCHEMBL415247 0.86 MEN1 (0.41) KMT2AALDH1A1KDM4EMEN1CYP1A2
SCHEMBL417731 0.85 KMT2A (0.45) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL414601 0.85 ALDH1A1 (0.40) ALDH1A1KDM4ECYP1A2CYP2C19

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 KMT2A 2843/4885SMN1; SMN2 4050/4885ALDH1A1 455/4885

“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.