SCHEMBL14768604

SCHEMBL14768604

CCn1nc(C(=O)O)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
BLM P54132 2/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
APAF1 O14727 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HTT P42858 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 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
SCHEMBL23757851 0.81 NPC1 (0.44) NPC1ALDH1A1KDM4ELMNABLM
SCHEMBL11690283 0.81 NPC1 (0.44) NPC1ALDH1A1KDM4ELMNABLM
SCHEMBL3945905 0.81 NPC1 (0.44) NPC1ALDH1A1KDM4ELMNABLM
SCHEMBL22900713 0.79 PDE4A (0.47) NPC1ALDH1A1KDM4EHTTPDE4A
SCHEMBL14771002 0.78 RAB9A (0.41) NPC1ALDH1A1KDM4EAPAF1HCAR2
SCHEMBL1739336 0.75 NPC1 (0.40) NPC1ALDH1A1KDM4ELMNABLM
SCHEMBL17627059 0.74 MYC (0.42) ALDH1A1KDM4ELMNABLMTSHR
SCHEMBL1741293 0.74 CNR1 (0.51) ALDH1A1KDM4ETSHRPOLBCYP1A2
SCHEMBL4594309 0.72 ALDH1A1 (0.40) NPC1ALDH1A1KDM4ELMNAHCAR2
SCHEMBL8306766 0.72 POLB (0.60) NPC1ALDH1A1KDM4ELMNAAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 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 (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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 NPC1 1649/4885ALDH1A1 1104/4885KDM4E 2853/4885

“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.