SCHEMBL8726690

SCHEMBL8726690

N=C(N)NNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
POLB P06746 3/20 0.58
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGS2 P35354 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 3/20 0.53
RAB9A P51151 2/20 0.53
CYP2C9 P11712 2/20 0.53
NPC1 O15118 1/20 0.53
CYP2D6 P10635 1/20 0.53
GAA P10253 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TLR7 Q9NYK1 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL8507058 0.82 LMNA (0.59) MAOAMAOBPOLBKDM4EALDH1A1
SCHEMBL5464442 0.82 APEX1 (0.52) MAOAPOLBKDM4EALDH1A1LMNA
SCHEMBL8726176 0.81 ALDH1A1 (0.73) POLBKDM4EALDH1A1MAPTPTGS2
SCHEMBL7819605 0.81 CA1 (0.62) MAOAMAOBPOLBKDM4EALDH1A1
SCHEMBL3042045 0.81 POLB (0.62) MAOAMAOBPOLBKDM4EALDH1A1
SCHEMBL15657808 0.80 MAOA (0.60) MAOAMAOBPOLBKDM4EMAPT
SCHEMBL5468686 0.80 RAB9A (0.59) MAOAPOLBKDM4EALDH1A1MAPT
SCHEMBL1913559 0.80 MAOA (0.62) MAOAMAOBPOLBKDM4EALDH1A1
SCHEMBL8731678 0.79 PARP1 (0.58) ALDH1A1L3MBTL1HTTRAB9ANPC1
SCHEMBL31387060 0.78 LMNA (0.53) MAOAMAOBPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2021-12-07 US disclosed
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2021-12-07 US disclosed
US-20160235755-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-18 US disclosed
US-20160235755-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-18 US disclosed
US-9278973-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2016-03-08 US disclosed
US-9278973-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2016-03-08 US disclosed
US-20150274740-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-01 US disclosed
US-20150274740-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-01 US disclosed
WO-2014066743-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP 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-20160235755-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MAOA 1508/4885MAOB 1426/4885POLB 1468/4885
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, DMPK MAOA 1036/4885MAOB 981/4885POLB 1673/4885
US-20150274740-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MAOA 1508/4885MAOB 1426/4885POLB 1468/4885

“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.