SCHEMBL1752891

SCHEMBL1752891

Cc1cc(-c2ccccc2)n[n+]([O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.39
SREBF2 Q12772 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL13203311 0.79 RAB9A (0.41) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL10835018 0.77 KDM4E (0.48) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8756013 0.70 KMT2A (0.59) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL1752795 0.69 KMT2A (0.44) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL11956554 0.68 LMNA (0.39) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL16376441 0.67 MEN1 (0.60) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL17756652 0.67 MEN1 (0.60) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL21077300 0.67 KMT2A (0.57) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL9791429 0.67 KDM4E (0.47) RAB9AKMT2AKDM4EMAPTMEN1
SCHEMBL11218549 0.67 RAB9A (0.42) RAB9ANPC1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
WO-2008109437-A2 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2008-09-12 WO disclosed
US-4623376-A PRE- AND POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1986-11-18 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 (4 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-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 RAB9A 3422/4885NPC1 1383/4885CASP3 343/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 RAB9A 3422/4885NPC1 1383/4885CASP3 343/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 RAB9A 4075/4885NPC1 2283/4885CASP3 220/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP RAB9A 4169/4885NPC1 2193/4885CASP3 230/4885

“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.