SCHEMBL25252536

SCHEMBL25252536

O=C(O)c1ccc2sc(Br)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HDAC6 Q9UBN7 8/20 0.48
KDM4E B2RXH2 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HSD17B10 Q99714 1/20 0.46
HKDC1 Q2TB90 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL30063475 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL381600 0.86 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL1105986 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL2031602 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL9307890 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL6985206 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL11147962 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
Hydrochloric Acid SCHEMBL11596610 0.81 RAB9A (0.68) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL31398710 0.80 HDAC1 (0.51) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL21708400 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
US-20240150339-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2024-05-09 US disclosed
EP-4291557-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2023-12-20 EP disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
WO-2022172037-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2022-08-18 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 (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-20240150339-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C NPC1 3795/4885RAB9A 1715/4885SMN1; SMN2 1885/4885

“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.