SCHEMBL4562161

SCHEMBL4562161

Fc1ccccc1Cn1nc(-c2ccccn2)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.40
GUCY1B2 O75343 2/20 0.40
GUCY1A2 P33402 2/20 0.40
GUCY1A1 Q02108 2/20 0.40
GUCY1B1 Q02153 2/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 5/20 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
SCHEMBL5019581 0.85 NPC1 (0.50) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL5019574 0.84 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL15627123 0.84 NPC1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL5019571 0.82 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL4561922 0.81 NPC1 (0.46) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL5019693 0.81 ADORA2A (0.48) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL5019690 0.80 NPC1 (0.45) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL4562791 0.80 ALDH1A1 (0.43) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL5019633 0.80 NPC1 (0.43) NPC1RAB9AL3MBTL1ALDH1A1HTT
SCHEMBL15627204 0.79 NPC1 (0.44) NPC1RAB9AL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
EP-2637659-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 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 (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-20150250795-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 2967/4885RAB9A 2039/4885L3MBTL1 4730/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 3154/4885RAB9A 2122/4885L3MBTL1 4772/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 NPC1 2967/4885RAB9A 2039/4885L3MBTL1 4730/4885

“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.