SCHEMBL13611646

SCHEMBL13611646

Cc1cc(-c2ccccc2)nnc1N1CCN(c2cnccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.48
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
DRD4 P21917 1/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 3/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL1752999 0.86 MAPT (0.59) SLC6A7LMNAL3MBTL1MAPTKDM4E
SCHEMBL27686016 0.83 HRH4 (0.46) LMNADRD4MAPTKDM4ETP53
SCHEMBL15256979 0.81 SLC6A7 (0.61) SLC6A7LMNAL3MBTL1KDM4ETP53
Minozac Free Base SCHEMBL1752767 0.81 MAPT (0.48) SLC6A7LMNADRD4MAPTKDM4E
SCHEMBL13611647 0.80 KHK (0.43) LMNAMAPTKDM4EHPGDHSD17B10
Minozac Free Base SCHEMBL2799232 0.80 TSHR (0.47) SLC6A7LMNADRD4MAPTKDM4E
Minozac Free Base SCHEMBL29369390 0.80 TSHR (0.47) SLC6A7LMNADRD4MAPTKDM4E
SCHEMBL1752927 0.79 HRH4 (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL1753200 0.79 MAPT (0.47) LMNAMAPTKDM4EHPGDHSD17B10
SCHEMBL1752990 0.79 KMT2A (0.51) L3MBTL1KDM4EHPGDSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 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 (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-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS SLC6A7 690/4885LMNA 2209/4885L3MBTL1 4042/4885

“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.