SCHEMBL2194134

SCHEMBL2194134

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(O)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.78
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
LMNA P02545 2/20 0.76
MAPT P10636 2/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
PTGS1 P23219 5/20 0.72
BAZ1A Q9NRL2 1/20 0.67
KCNK3 O14649 1/20 0.61
TRPV1 Q8NER1 2/20 0.59
EPHX2 P34913 1/20 0.58
RHOC P08134 1/20 0.58
RHOA P61586 1/20 0.58
RORC P51449 1/20 0.57

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
SCHEMBL23304103 0.88 P2RX1 (1.00) P2RX1NPC1RAB9ALMNAMAPT
SCHEMBL826721 0.87 MAPT (0.83) P2RX1NPC1RAB9ALMNAMAPT
SCHEMBL2564890 0.84 NPC1 (1.00) P2RX1NPC1RAB9ALMNAMEN1
SCHEMBL6796839 0.84 TP53 (0.73) P2RX1NPC1RAB9AMEN1KMT2A
SCHEMBL2859341 0.84 MEN1 (0.78) P2RX1NPC1RAB9ALMNAMAPT
SCHEMBL6559364 0.84 PTGS1 (1.00) P2RX1NPC1RAB9ALMNAMAPT
SCHEMBL10804897 0.83 MEN1 (0.81) P2RX1NPC1RAB9AMEN1KMT2A
SCHEMBL2064051 0.82 TRPV1 (0.73) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL8773726 0.82 MEN1 (0.69) P2RX1NPC1RAB9AMEN1KMT2A
Iodide SCHEMBL30758553 0.82 NPC1 (0.96) P2RX1NPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 P2RX1 3483/4885NPC1 3493/4885RAB9A 382/4885

“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.