SCHEMBL417266

SCHEMBL417266

CCOC(=O)N1CCN(c2ccccc2CN(C)C(=O)CCCSc2ccc(O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 5/20 0.49
MAPT P10636 9/20 0.48
ALDH1A1 P00352 9/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL417690 0.91 SMN1; SMN2 (0.39) SMN1; SMN2GAAMAPTALDH1A1NPC1
SCHEMBL418901 0.90 ALDH1A1 (0.40) SMN1; SMN2GAAMAPTALDH1A1NPC1
SCHEMBL416317 0.88 NCF1 (0.37) SMN1; SMN2GAAMAPTALDH1A1NPC1
SCHEMBL418211 0.85 KMT2A (0.44) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL413145 0.85 NPC1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL415247 0.84 MEN1 (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL418219 0.84 NPC1 (0.35) SMN1; SMN2GAAMAPTALDH1A1NPC1
SCHEMBL414601 0.84 ALDH1A1 (0.40) MAPTALDH1A1KDM4EALOX15
SCHEMBL417731 0.84 KMT2A (0.45) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL412453 0.83 KDM4E (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 SMN1; SMN2 4050/4885GAA 184/4885MAPT 3216/4885

“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.