SCHEMBL2385077

SCHEMBL2385077

Clc1ncccc1OCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.51
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCD O00767 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SLC6A4 P31645 1/20 0.43
POLB P06746 1/20 0.42
PLK1 P53350 1/20 0.42
IKBKB O14920 1/20 0.41

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
SCHEMBL30887571 1.00 ABCB1 (0.51) ABCB1LTA4HMAPK14NPC1RAB9A
SCHEMBL2339072 0.87 LTA4H (0.64) ABCB1LTA4HMAPK14NPC1RAB9A
SCHEMBL7237455 0.80 NPC1 (0.68) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6206351 0.79 LTA4H (0.58) LTA4HMAPK14NPC1RAB9AMAPT
SCHEMBL6026657 0.76 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL11755567 0.75 CHRNB2 (0.46) LTA4HMAPK14NPC1RAB9AMAPT
SCHEMBL25389540 0.74 NPC1 (0.49) ABCB1LTA4HMAPK14NPC1RAB9A
SCHEMBL8883647 0.73 ABCB1 (0.50) ABCB1LTA4HMAPK14MAPTSMN1; SMN2
SCHEMBL29407668 0.73 GRM5 (0.49) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL2547749 0.73 GRM5 (0.49) HTTMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245675-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. 2024-07-25 US disclosed
EP-4377298-A1 PROTEIN SECRETION INHIBITORS Gate Bioscience, Inc. (US) 2024-06-05 EP disclosed
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ABCB1 2049/4885LTA4H 2216/4885MAPK14 359/4885
US-20240245675-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ABCB1 1253/4885LTA4H 3131/4885MAPK14 1901/4885

“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.