SCHEMBL31019644

SCHEMBL31019644

Cc1ccc(C(=O)Nc2ccccn2)cc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.65
RAB9A P51151 12/20 0.65
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 7/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
F2 P00734 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
PKM P14618 2/20 0.55
LMNA P02545 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL27299415 0.83 NPC1 (0.65) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11219536 0.83 NPC1 (0.65) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4128203 0.83 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2980539 0.81 NPC1 (0.61) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL14985581 0.81 MEN1 (0.67) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11833252 0.80 NPC1 (0.60) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22902863 0.80 RAB9A (0.63) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL3689257 0.79 RAB9A (0.83) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9975858 0.79 RAB9A (0.83) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11223073 0.79 MEN1 (0.75) NPC1RAB9AMEN1KMT2ATDP1

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-20240300958-A1 COMPOUNDS AND THE USES AND PHARMACEUTICAL COMPOSITIONS THEREOF BEIJING YOUZHUJU NETWORK TECH CO LTD (CN) 2024-09-12 US disclosed
CN-118619954-A Compounds, uses and pharmaceutical compositions thereof 北京有竹居网络技术有限公司 2024-09-10 CN 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-20240300958-A1 COMPOUNDS AND THE USES AND PHARMACEUTICAL COMPOSITIONS THEREOF DDR1, DDR2, DDRGK1 NPC1 1949/4885RAB9A 1595/4885MEN1 1322/4885

“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.