SCHEMBL414666

SCHEMBL414666

CNCc1cccc(F)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MAPT P10636 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 4/20 0.41
KCNH2 Q12809 4/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 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
SCHEMBL29875218 0.79 ALDH1A1 (0.58) MAPTL3MBTL1SLC6A4SLC6A2KCNH2
SCHEMBL680393 0.79 ALDH1A1 (0.58) MAPTL3MBTL1SLC6A4SLC6A2KCNH2
SCHEMBL414474 0.79 SCN8A (0.44) MAPTL3MBTL1SLC6A4SLC6A2KCNH2
SCHEMBL12648278 0.79 SLC6A2 (0.43) MAPTL3MBTL1SLC6A4SLC6A2KCNH2
SCHEMBL1254150 0.78 SLC6A4 (0.47) MAPTTAAR1SLC6A4SLC6A2KCNH2
SCHEMBL15983859 0.78 MEP1B (0.49) MCL1MAPTSLC6A4SLC6A2KCNH2
SCHEMBL19814847 0.77 SLC6A2 (0.43) MAPTTAAR1L3MBTL1SLC6A4SLC6A2
SCHEMBL16390903 0.77 SLC6A2 (0.43) MAPTTAAR1L3MBTL1SLC6A4SLC6A2
SCHEMBL29912077 0.77 SLC6A2 (0.43) MAPTTAAR1L3MBTL1SLC6A4SLC6A2
SCHEMBL7674619 0.77 SLC6A2 (0.43) MAPTTAAR1L3MBTL1SLC6A4SLC6A2

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 MCL1 79/4885MAPT 3216/4885TAAR1 4294/4885

“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.