SCHEMBL1689387

SCHEMBL1689387

Clc1ccc2nc(N3CCCNCC3)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.75
RAB9A P51151 9/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.57
SCN4A P35499 2/20 0.56
SCN9A Q15858 2/20 0.56
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
CNR2 P34972 2/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
Hydrochloric Acid SCHEMBL4307773 0.99 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL2709859 0.95 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MAPTPOLB
Hydrochloric Acid SCHEMBL334836 0.93 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL24329835 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTPOLB
Fumaric Acid SCHEMBL3468728 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTPOLB
Fumaric Acid SCHEMBL3468731 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4056087 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10219273 0.81 SCN4A (0.62) NPC1RAB9ASMN1; SMN2MAPTSCN4A
SCHEMBL3216411 0.81 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL3552178 0.80 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTPOLB

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-11160803-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2021-11-02 US disclosed
US-10449192-B2 Phthalazinone derivatives KUDO PHARMACEUTICALS LIMITED (GB) 2019-10-22 US disclosed
US-20180185363-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-05 US disclosed
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US disclosed
US-9566276-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2017-02-14 US disclosed
US-20160000781-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2016-01-07 US disclosed
US-9169235-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2015-10-27 US disclosed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-20140378442-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2014-12-25 US disclosed
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis KUDOS PHARMACEUTICALS LIMITED 2008-08-21 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
US-20060149059-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-07-06 US disclosed
EP-1633724-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2006-03-15 EP disclosed
US-20050059663-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2005-03-17 US disclosed
US-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
WO-2004080976-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2004-09-23 WO disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 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 (11 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A NPC1 10/4885RAB9A 3175/4885SMN1; SMN2 4276/4885
US-20140378442-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885
US-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1989/4885RAB9A 3570/4885SMN1; SMN2 3650/4885
US-20050059663-A1 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885
US-10449192-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885
US-11160803-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis PARP1, PARP11, PARP2 NPC1 4492/4885RAB9A 4538/4885SMN1; SMN2 553/4885
US-20060149059-A1 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 NPC1 1989/4885RAB9A 3570/4885SMN1; SMN2 3650/4885
US-20160000781-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1989/4885RAB9A 3570/4885SMN1; SMN2 3650/4885
US-20180185363-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1933/4885RAB9A 3332/4885SMN1; SMN2 3730/4885

“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.