SCHEMBL413561

SCHEMBL413561

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSPO P30536 1/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
Acetic Acid SCHEMBL418134 0.98 RAB9A (0.46) RAB9ANPC1KMT2AMEN1TSPO
SCHEMBL418135 0.88 RAB9A (0.42) RAB9ANPC1KMT2AMEN1TSPO
SCHEMBL419661 0.85 RAB9A (0.43) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL414300 0.84 BCHE (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL415391 0.83 ALDH1A1 (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL413187 0.83 L3MBTL1 (0.41) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL415110 0.83 TDP1 (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL416332 0.83 BCHE (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL414723 0.82 PLK1 (0.44) RAB9ANPC1KMT2AMEN1PLK1
SCHEMBL414368 0.82 ALDH1A1 (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1

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 RAB9A 646/4885NPC1 76/4885KMT2A 2843/4885

“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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