SCHEMBL416348

SCHEMBL416348

CN(Cc1cccc2ccccc12)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.43
METAP1 P53582 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.41
ACKR3 P25106 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL419661 0.86 RAB9A (0.43) KMT2AMEN1ALDH1A1TDP1
SCHEMBL414300 0.85 BCHE (0.48) KMT2AMEN1ALDH1A1TDP1
SCHEMBL415110 0.84 TDP1 (0.48) KMT2AMEN1ALDH1A1TDP1
SCHEMBL415391 0.84 ALDH1A1 (0.40) CYP2D6CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL413187 0.84 L3MBTL1 (0.41) KMT2AMEN1ALDH1A1TDP1
SCHEMBL416332 0.84 BCHE (0.49) POLBKMT2AMEN1ALDH1A1
SCHEMBL414368 0.83 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL414723 0.83 PLK1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL413455 0.82 ACHE (0.54) KMT2AMEN1TDP1
SCHEMBL418204 0.82 BCHE (0.40) CYP2D6KMT2AMEN1ALDH1A1

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 METAP2 3204/4885METAP1 2656/4885CYP1A2 151/4885

“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.