SCHEMBL21777003

SCHEMBL21777003

Cc1cccc(-c2nnc(O)o2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
TSHR P16473 2/20 0.69
KDM4E B2RXH2 5/20 0.66
TP53 P04637 4/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
NOTUM Q6P988 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 4/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 3/20 0.49

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
SCHEMBL11674120 0.87 SMN1; SMN2 (0.89) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13882293 0.85 SMN1; SMN2 (0.85) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16675211 0.83 SMN1; SMN2 (0.82) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12974 0.81 HPGD (0.73) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL23451871 0.81 NOTUM (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12634931 0.80 NPC1 (0.83) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL21778135 0.79 NOTUM (0.53) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL21776967 0.79 NPC1 (0.69) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL2835027 0.79 MECP2 (0.69) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL14112948 0.79 SMN1; SMN2 (0.69) HPGDSMN1; SMN2NPC1RAB9ATSHR

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-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 HPGD 632/4885SMN1; SMN2 451/4885NPC1 51/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT HPGD 1075/4885SMN1; SMN2 74/4885NPC1 7/4885

“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.