SCHEMBL418244

SCHEMBL418244

C=CCOc1ccc(Cl)cc1CN(C)C(=O)CCCSc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
CCR2 P41597 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL413387 0.89 BCHE (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL415201 0.81 MAPT (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL415495 0.79 NPC1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL413866 0.78 RIPK1 (0.51) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL417839 0.77 MEN1 (0.41) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL415251 0.77 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL414373 0.76 NPC1 (0.39) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL412612 0.75 TDP1 (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL417990 0.75 LMNA (0.43) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL416480 0.75 BCHE (0.48) ALDH1A1LMNAMEN1KMT2AMAPT

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 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

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 TSHR 4221/4885GAA 184/4885KDM4E 674/4885

“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.