SCHEMBL2794940

SCHEMBL2794940

Cc1cn[n+]([O-])c(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
NTSR1 P30989 2/20 0.38
KDM4E B2RXH2 5/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB5 P28074 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UHRF1 Q96T88 1/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11956545 0.69 RAB9A (0.40) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL1925010 0.68 KDM4E (0.37) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL14164175 0.64 RAB9A (0.40) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL24775380 0.62 KDM4E (0.43) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL2647551 0.61 CYP2A6 (0.55) CYP11B1CYP11B2PSMB5CYP3A4
SCHEMBL4144064 0.61 ALDH1A1 (0.44) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL1752891 0.60 RAB9A (0.42) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2956668 0.60 HTT (0.41) RAB9ANPC1NTSR1KDM4EHTT
SCHEMBL11978672 0.60 CYP2A6 (0.53) CYP11B1CYP11B2PSMB5CYP3A4
SCHEMBL598686 0.60 TSHR (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168120-A1 SALTS OF PYRIDAZINE COMPOUNDS NEUROMEDIX INC. (CA) 2010-07-01 US disclosed
EP-2015751-A2 SALTS OF PYRIDAZINE COMPOUNDS Northwestern University (US) 2009-01-21 EP disclosed
WO-2007127448-A2 SALTS OF PYRIDAZINE COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2007-11-08 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 (1 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-20100168120-A1 SALTS OF PYRIDAZINE COMPOUNDS PTMS, TST, SRMS RAB9A 2898/4885NPC1 2443/4885NTSR1 865/4885

“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.