SCHEMBL29683064

SCHEMBL29683064

O=C(Nc1nc(Br)cs1)c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 8/20 0.70
TP53 P04637 3/20 0.70
HTT P42858 3/20 0.70
KDM4E B2RXH2 3/20 0.70
GAA P10253 3/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ALDH1A1 P00352 1/20 0.70
RCE1 Q9Y256 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
RXFP1 Q9HBX9 1/20 0.55
SLC2A1 P11166 1/20 0.51
LMNA P02545 3/20 0.49
MPO P05164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
P2RX1 P51575 1/20 0.48

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
SCHEMBL24074632 0.84 NPC1 (0.58) NPC1RAB9ATP53HTTKDM4E
SCHEMBL16256827 0.82 NPC1 (1.00) NPC1RAB9ATP53HTTKDM4E
SCHEMBL24074120 0.81 NPC1 (0.50) NPC1RAB9ATP53HTTKDM4E
SCHEMBL741587 0.79 NPC1 (0.76) NPC1RAB9ATP53HTTKDM4E
SCHEMBL24242616 0.79 NPC1 (0.69) NPC1RAB9ATP53HTTKDM4E
SCHEMBL703934 0.78 NPC1 (0.67) NPC1RAB9ATP53HTTKDM4E
SCHEMBL29267694 0.78 NPC1 (0.64) NPC1RAB9ATP53HTTKDM4E
SCHEMBL30263346 0.78 PDE5A (0.64) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL2696505 0.77 NPC1 (0.66) NPC1RAB9ATP53HTTKDM4E
SCHEMBL27813863 0.77 NPC1 (0.62) NPC1RAB9ATP53HTTKDM4E

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-20220288037-A1 PRODRUGS AND FORMULATIONS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-15 US claimed
CN-114599365-A Prodrugs and formulations thereof 内布拉斯加大学董事会 2022-06-07 CN claimed

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-20220288037-A1 PRODRUGS AND FORMULATIONS THEREOF UGT1A1, UGT2B7, UGT1A4 NPC1 259/4885RAB9A 2567/4885TP53 958/4885

“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.