SCHEMBL896782

SCHEMBL896782

[c]1ccc(-n2cccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.41
NOTUM Q6P988 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
GRM5 P41594 4/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 3/20 0.36
CHRNA7 P36544 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL2902574 0.75 NPC1 (0.41) LMNAKDM4EALDH1A1KMT2ANPC1
SCHEMBL2390767 0.74 NOTUM (0.39) NOTUM
SCHEMBL41608 0.72 NOTUM (0.59) LMNAKDM4EALDH1A1KMT2ANOTUM
SCHEMBL896573 0.72
SCHEMBL29635627 0.72 KDM4E (0.50) LMNAKDM4EALDH1A1KMT2ANOTUM
SCHEMBL173802 0.72 KDM4E (0.50) LMNAKDM4EALDH1A1KMT2ANOTUM
SCHEMBL1235012 0.72 POLB (0.31)
SCHEMBL4540542 0.72 KDM4E (0.46) LMNAKDM4EALDH1A1KMT2ANOTUM
SCHEMBL15363768 0.71 LMNA (0.49) LMNAKDM4EALDH1A1KMT2ANOTUM
Hydrochloric Acid SCHEMBL28859111 0.71 LMNA (0.49) LMNAKDM4EALDH1A1KMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201200-A1 Methods for Treating Huntington’s Disease PTC THERAPEUTICS INC (US) 2023-06-29 US claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP claimed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US claimed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US claimed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP claimed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO claimed
CN-104817534-A Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors ALTANA PHARMA AG 2015-08-05 CN claimed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US claimed
US-20080167301-A1 Respiratory system disorders ALTANA PHARMA AG (DE) 2008-07-10 US claimed
CN-101128432-A Tetrahydroisoquinoline compounds for treatment of cns disorders JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN claimed
EP-1856092-A1 6-HETEROARYL-1,2,3,4,4A,10B-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Nycomed GmbH (DE) 2007-11-21 EP claimed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP claimed
CN-1922170-A Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 ALTANA PHARMA AG (DE) 2007-02-28 CN claimed
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP claimed
WO-2006092417-A1 6 -HETEROARYL-1, 2, 3,4,4A, 1OB-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS NYCOMED GMBH (DE) 2006-09-08 WO claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 WO claimed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 LMNA 4705/4885KDM4E 2643/4885ALDH1A1 2450/4885
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS LMNA 2945/4885KDM4E 933/4885ALDH1A1 1658/4885
US-20080167301-A1 Respiratory system disorders PDE4A, PDE4B, PDE12 LMNA 3908/4885KDM4E 1552/4885ALDH1A1 300/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS LMNA 2945/4885KDM4E 933/4885ALDH1A1 1658/4885
US-20230201200-A1 Methods for Treating Huntington’s Disease HTT, HYPK, HDAC6 LMNA 1244/4885KDM4E 2884/4885ALDH1A1 1248/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH LMNA 3037/4885KDM4E 1200/4885ALDH1A1 709/4885

“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.