SCHEMBL253135

SCHEMBL253135

CCOC(=O)c1cc(-c2ccccn2)n(Cc2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
PDE5A O76074 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
P2RY14 Q15391 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
MCTS1 Q9ULC4 2/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.41
BUB1 O43683 1/20 0.40

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
SCHEMBL15069268 0.85 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL253380 0.85 SLC16A3 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL251237 0.84 GUCY1B2 (0.54) CYP2C9
SCHEMBL17621376 0.84 GUCY1B2 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17610956 0.84 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL2921176 0.83 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL251988 0.83 SLC16A3 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL252933 0.83 GUCY1B2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL29831851 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL15964665 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243177-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2025-07-31 US disclosed
CN-107021951-B sGC stimulators 赛克里翁治疗有限公司 2020-10-20 CN disclosed
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
US-10189809-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-29 US disclosed
US-10189809-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-29 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 EP disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
EP-2588465-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 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 (6 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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885
US-20250243177-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885CYP2C9 896/4885

“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.