SCHEMBL21130409

SCHEMBL21130409

Cc1cc2oc(Nc3nc4cnccc4o3)nc2cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
GALK1 P51570 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL19914392 0.80 LATS1 (0.36) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL19899541 0.78 NPC1 (0.39) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL19899631 0.78 NPC1 (0.38) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL19899563 0.77 S1PR3 (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19899794 0.75 KCNH2 (0.53) NPC1RAB9ALMNAALOX15MAPT
SCHEMBL19899552 0.75 FAAH (0.41) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL19914373 0.72 MAPT (0.42) NPC1RAB9APKMMAPTMEN1
SCHEMBL18077513 0.71 ELANE (0.45) NPC1RAB9ATP53FAAHALDH1A1
SCHEMBL4163580 0.69 L3MBTL1 (0.44) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL30200573 0.69 L3MBTL1 (0.44) NPC1RAB9ASMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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 (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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 NPC1 114/4885RAB9A 1688/4885SMN1; SMN2 4315/4885

“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.