SCHEMBL418135

SCHEMBL418135

CC(=O)Nc1ccccc1CN(C)C(=O)CCCSc1ccc(OC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TSPO P30536 1/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL413561 0.88 RAB9A (0.45) RAB9ATSHRHTTNPC1ALDH1A1
Acetic Acid SCHEMBL418134 0.86 RAB9A (0.46) RAB9AHTTNPC1ALDH1A1MEN1
SCHEMBL416303 0.77 NPC1 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL415188 0.76 ACHE (0.54) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL414616 0.76 LMNA (0.43) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL419661 0.73 RAB9A (0.43) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL414368 0.73 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL417466 0.72 L3MBTL1 (0.42) ALDH1A1KMT2ALMNATSPO
SCHEMBL416207 0.72 MAPK1 (0.60) RAB9AHTTNPC1ALDH1A1SMN1; SMN2
SCHEMBL414300 0.72 BCHE (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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 RAB9A 646/4885HSD17B10 2029/4885TSHR 4221/4885

“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.

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