SCHEMBL29374896

SCHEMBL29374896

O=Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(F)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ PTGS1 P23219 3/20 0.51
▸ TRPV1 Q8NER1 3/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ SNCA P37840 2/20 0.50
▸ RORC P51449 1/20 0.50
▸ P2RX1 P51575 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ P2RX7 Q99572 1/20 0.48
▸ TMPRSS4 Q9NRS4 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TOP1 P11387 1/20 0.48
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 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
SCHEMBL22466034 1.00 NPC1 (0.54) NPC1RAB9APTGS1TRPV1HDAC3
SCHEMBL29381898 0.84 ERN1 (0.50) NPC1RAB9ASNCAMEN1KMT2A
SCHEMBL22466044 0.84 ERN1 (0.50) NPC1RAB9ASNCAMEN1KMT2A
SCHEMBL22466042 0.83 TRPV1 (0.50) NPC1RAB9APTGS1TRPV1HDAC3
SCHEMBL29375208 0.83 TRPV1 (0.50) NPC1RAB9APTGS1TRPV1HDAC3
SCHEMBL22466125 0.82 KCNQ3 (0.47) NPC1RAB9ATMPRSS4MAPTLMNA
SCHEMBL22485146 0.81 TOP1 (0.43) SNCATOP1TOP2ATOP2B
SCHEMBL23226784 0.79 TRPV1 (0.53) NPC1RAB9APTGS1TRPV1HDAC3
SCHEMBL25319528 0.79 KDR (0.49) —
SCHEMBL29475519 0.79 KDR (0.49) —

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-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 — — CN disclosed
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 — — US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 — — US disclosed
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 — — EP disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 — — 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 (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-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 NPC1 652/4885RAB9A 3141/4885PTGS1 413/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 NPC1 675/4885RAB9A 2725/4885PTGS1 707/4885

“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.

Send feedback