SCHEMBL5111384

SCHEMBL5111384

Clc1cnc2c(n1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM5 P41594 3/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.33
APAF1 O14727 2/20 0.33
MAPT P10636 2/20 0.33
NSD2 O96028 2/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 2/20 0.32

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
SCHEMBL23793110 0.95 GRM5 (0.35) NPC1RAB9AGRM5ALDH1A1MAPT
SCHEMBL29741313 0.95 GRM5 (0.35) NPC1RAB9AGRM5ALDH1A1MAPT
SCHEMBL29274083 0.90
SCHEMBL7708007 0.80 HTR2C (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4136886 0.73 NPC1 (0.48) NPC1RAB9AALDH1A1KDM4EAPAF1
SCHEMBL29393274 0.73 NPC1 (0.48) NPC1RAB9AALDH1A1KDM4EAPAF1
SCHEMBL4136883 0.71 NPC1 (0.37) NPC1RAB9AALDH1A1KDM4EAPAF1
SCHEMBL31758711 0.71 NPC1 (0.37) NPC1RAB9AALDH1A1KDM4EAPAF1
SCHEMBL7421770 0.71 NOS3 (0.45) NPC1RAB9AALDH1A1KDM4EAPAF1
SCHEMBL24869475 0.71 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250241905-A1 3-BETA-HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
CN-105051927-A Azabenzimidazole carbene complexes as efficiency booster in OLEDs BASF SE 2015-11-11 CN disclosed
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
US-5306819-A Anxiolytic agents NEUROGEN CORPORATION (US) 1994-04-26 US disclosed
WO-1994005665-A1 CERTAIN ARYL AND CYCLOALKYL FUSED IMIDAZOPYRAZINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-03-17 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 (3 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-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 NPC1 2628/4885RAB9A 3324/4885GRM5 867/4885
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 NPC1 327/4885RAB9A 255/4885GRM5 490/4885
US-20250241905-A1 3-BETA-HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF HSD3B1, HSD3B2, HSD17B11 NPC1 500/4885RAB9A 4094/4885GRM5 2725/4885

“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.