SCHEMBL2859341

SCHEMBL2859341

O=C(Nc1cccc(O)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
MAPT P10636 2/20 0.78
LMNA P02545 2/20 0.78
RAB9A P51151 2/20 0.78
NPC1 O15118 1/20 0.78
KCNK3 O14649 2/20 0.76
PTGS1 P23219 2/20 0.72
HTT P42858 1/20 0.72
P2RX1 P51575 2/20 0.72
KCNK9 Q9NPC2 1/20 0.71
RXFP1 Q9HBX9 3/20 0.70
TSHR P16473 1/20 0.61
KCNQ3 O43525 1/20 0.61
KCNQ2 O43526 1/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61
KCNQ5 Q9NR82 1/20 0.61
BAZ1A Q9NRL2 1/20 0.61
POLB P06746 1/20 0.61

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
SCHEMBL826721 0.94 MAPT (0.83) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4286068 0.91 MAPT (0.94) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4517587 0.86 LMNA (1.00) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL30739929 0.86 LMNA (1.00) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4656855 0.85 MAPT (0.78) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL2494871 0.85 KCNK3 (0.81) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL15094033 0.85 MAPT (0.78) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL29800565 0.84 MEN1 (0.93) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL6793906 0.84 MEN1 (0.93) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11675529 0.84 MEN1 (1.00) MEN1KMT2AMAPTLMNARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 US disclosed
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 EP disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 US disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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 (3 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-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 MEN1 1374/4885KMT2A 799/4885MAPT 3529/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MEN1 627/4885KMT2A 974/4885MAPT 4439/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 MEN1 1374/4885KMT2A 799/4885MAPT 3529/4885

“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.