SCHEMBL6494029

SCHEMBL6494029

CCn1ncc(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
APOBEC3A P31941 1/20 0.38
BLM P54132 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL31094782 0.84 KMT2A (0.46) NPC1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL6611180 0.83 ALDH1A1 (0.43) NPC1HTTSMN1; SMN2LMNARAB9A
SCHEMBL15565711 0.81 NPC1 (0.46) NPC1HTTSMN1; SMN2LMNARAB9A
SCHEMBL9956726 0.79 KMT2A (0.52) NPC1SMN1; SMN2LMNARAB9APOLB
SCHEMBL1431393 0.79 POLB (0.56) NPC1HTTSMN1; SMN2LMNARAB9A
SCHEMBL15897830 0.79 NPC1 (0.44) NPC1HTTSMN1; SMN2LMNARAB9A
SCHEMBL23068947 0.79 P2RX7 (0.40) NPC1HTTSMN1; SMN2LMNARAB9A
SCHEMBL6379827 0.79 GRIA1 (0.36) NPC1HTTLMNAPOLBTSHR
SCHEMBL30744771 0.78 LMNA (0.42) LMNAPOLBMAPK1ALDH1A1L3MBTL1
SCHEMBL1458310 0.76 LMNA (0.49) NPC1SMN1; SMN2LMNARAB9AHPGD

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
WO-2024208228-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-10-10 WO disclosed
CN-106661043-A 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives 豪夫迈·罗氏有限公司 2017-05-10 CN disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 NPC1 3531/4885HTT 3057/4885SMN1; SMN2 4854/4885

“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.