SCHEMBL15629752

SCHEMBL15629752

c1cnc(-c2n[nH]c(-c3ncco3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGDS O60760 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NOTUM Q6P988 1/20 0.33
LTA4H P09960 1/20 0.33

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
Hydrochloric Acid SCHEMBL4562599 0.98 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1ALPL
SCHEMBL15627195 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1ALPL
SCHEMBL17279724 0.82 NR1H2 (0.59) SMN1; SMN2NPC1RAB9AL3MBTL1ALPL
SCHEMBL22638176 0.75 KDM4E (0.43) SMN1; SMN2NPC1RAB9AALPLHSD17B10
SCHEMBL66901 0.72 HPGDS (0.48) SMN1; SMN2NPC1RAB9APKMHSD17B10
SCHEMBL100765 0.65 HPGDS (0.46) HPGDSLTA4H
SCHEMBL6449793 0.64 ADORA2A (0.69) SMN1; SMN2NPC1RAB9AL3MBTL1ALPL
SCHEMBL27514396 0.63 METAP1 (0.55)
SCHEMBL12283320 0.63 GAA (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1ALPL
SCHEMBL2348095 0.63 HPGDS (0.33) HPGDSLTA4H

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-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 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-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US 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 SMN1; SMN2 1499/4885NPC1 2967/4885RAB9A 2039/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 SMN1; SMN2 1279/4885NPC1 3154/4885RAB9A 2122/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 SMN1; SMN2 1499/4885NPC1 2967/4885RAB9A 2039/4885

“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.