SCHEMBL30905979

SCHEMBL30905979

Cc1nnc(-c2cccc(B(O)O)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
TP53 P04637 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL782120 1.00 MGLL (0.49) MGLLNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12419461 0.83 MGLL (0.61) MGLLNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2099040 0.80 GPR84 (0.47) MGLLNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11964433 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13393581 0.78 TRPM8 (0.60) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL1186494 0.78 GUSB (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL12974 0.78 HPGD (0.73) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9341650 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL1233140 0.75 MAPK14 (0.48) RAB9ASMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL12420279 0.75 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDTSHR

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-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 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-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE MGLL 303/4885NPC1 848/4885RAB9A 2168/4885

“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.