SCHEMBL24439367

SCHEMBL24439367

Cc1ccc(Cc2ccc3cnoc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LTA4H P09960 2/20 0.36
USP2 O75604 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SRD5A2 P31213 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL23987189 0.87 CYP1A2 (0.35) NPC1RAB9ASMN1; SMN2KDM4ECYP3A4
SCHEMBL23978603 0.84 PLK1 (0.36) NPC1RAB9ASMN1; SMN2KDM4ECYP3A4
SCHEMBL22965748 0.83 HTR1B (0.37) NPC1RAB9AL3MBTL1KDM4ECYP3A4
SCHEMBL12186 0.80 CYP1A2 (0.44) NPC1RAB9ASMN1; SMN2TDP1KDM4E
SCHEMBL91331 0.79 CYP1A2 (0.44) NPC1RAB9ASMN1; SMN2TDP1KDM4E
SCHEMBL25455392 0.77 PLG (0.31) ALDH1A1
SCHEMBL8227728 0.76 CNR1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31125665 0.75 CA12 (0.43)
SCHEMBL28590491 0.75 CA12 (0.43)
SCHEMBL13547932 0.75 ESR1 (0.37) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044649-A2 GTPase INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-29 WO disclosed
US-20230346943-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-02 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
WO-2022109495-A1 METHODS AND COMPOSITIONS FOR LINKING RNA STEM LOOPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-27 WO disclosed
WO-2022104151-A1 IRE1ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-19 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 NPC1 1160/4885RAB9A 1874/4885SMN1; SMN2 4659/4885
US-20230346943-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES DCLRE1A, PCNA, HMBS NPC1 3154/4885RAB9A 3212/4885SMN1; SMN2 2270/4885

“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.