SCHEMBL6350431

SCHEMBL6350431

Clc1nn2c(-c3ccccc3)ncc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PLK1 P53350 3/20 0.40
TLR7 Q9NYK1 3/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4760356 0.80 L3MBTL1 (0.54) RXFP1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6348288 0.77 RXFP1 (0.38) RXFP1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6338357 0.75 GABRA1 (0.40) RXFP1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL13325636 0.73 TLR7 (0.41) SMN1; SMN2KMT2AMEN1PLK1TLR7
SCHEMBL13522598 0.72 EGLN2 (0.40) SMN1; SMN2KMT2AMEN1PLK1TLR7
SCHEMBL497285 0.72 NPC1 (0.69) RXFP1L3MBTL1SMN1; SMN2MAPTNPC1
Dimethylamine SCHEMBL496581 0.68 SMN1; SMN2 (0.66) RXFP1L3MBTL1SMN1; SMN2MAPTNPC1
SCHEMBL5527076 0.67 L3MBTL1 (0.58) RXFP1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL12386776 0.66 KDM4E (0.49) L3MBTL1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7126553 0.64 CYP2A6 (0.43) RXFP1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949549-B2 Imidazolophthalazine derivatives as ligands for GABAA receptors MERCK SHARP & DOHME LTD. (GB) 2005-09-27 US disclosed
US-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors MERCK SHARP & DOHME LTD. (GB) 2004-07-29 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-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors GABRA5, GABRP, GABRA6 RXFP1 1596/4885L3MBTL1 4690/4885SMN1; SMN2 3793/4885

“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.