SCHEMBL417690

SCHEMBL417690

CN(Cc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PRMT5 O14744 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NAMPT P43490 1/20 0.36
BACE1 P56817 1/20 0.36
ACHE P22303 1/20 0.36
ESRRB O95718 1/20 0.36
ESR1 P03372 1/20 0.36
ESRRA P11474 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
SCHEMBL417266 0.91 SMN1; SMN2 (0.49) SMN1; SMN2GAAMAPTNPC1RAB9A
SCHEMBL418901 0.88 ALDH1A1 (0.40) SMN1; SMN2GAAMAPTNPC1RAB9A
SCHEMBL416317 0.86 NCF1 (0.37) SMN1; SMN2GAAMAPTNPC1RAB9A
SCHEMBL413145 0.83 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL418211 0.83 KMT2A (0.44) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL417691 0.83 MAPT (0.43) SMN1; SMN2GAAMAPTNPC1RAB9A
SCHEMBL415247 0.83 MEN1 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL418219 0.83 NPC1 (0.35) SMN1; SMN2GAAMAPTNPC1RAB9A
SCHEMBL414601 0.82 ALDH1A1 (0.40) MAPTALDH1A1KDM4E
SCHEMBL417731 0.82 KMT2A (0.45) NPC1RAB9AALDH1A1KMT2AKDM4E

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 4 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
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.