SCHEMBL6832452

SCHEMBL6832452

C=CCNc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NOS1 P29475 1/20 0.40
HTT P42858 1/20 0.40
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
IDO1 P14902 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7963936 0.98 MAPT (0.51) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL728274 0.86 CA12 (0.47) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL29411874 0.81 MEN1 (0.50) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL24151505 0.78 MAPT (0.47) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL1465116 0.78 MEN1 (0.50) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL2857440 0.77 MAPT (0.62) MAPTHPGDMEN1KMT2AHTT
SCHEMBL31497260 0.77 KMT2A (0.51) MAPTHPGDMEN1KMT2ACA12
SCHEMBL4033840 0.77 TGM2 (0.50) L3MBTL1HPGDMEN1KMT2ACA12
SCHEMBL1220014 0.77 CYP3A4 (0.47) MAPTMEN1KMT2ACA12CA9
SCHEMBL31591724 0.77 CYP3A4 (0.47) MAPTMEN1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 WO disclosed
EP-0145401-B1 PHOTOCONDUCTIVE DEVICE CONTAINING NOVEL BENZYL FLUORINATED SQUARAINE COMPOUNDS XEROX CORPORATION (US) 1987-12-09 EP disclosed
US-4644082-A Photoconductive devices containing novel benzyl fluorinated squaraine compositions XEROX CORPORATION (US) 1987-02-17 US disclosed
EP-0145401-A2 Photoconductive device containing novel benzyl fluorinated squaraine compounds XEROX CORPORATION (US) 1985-06-19 EP disclosed
US-4508803-A Photoconductive devices containing novel benzyl fluorinated squaraine compositions XEROX CORPORATION (US) 1985-04-02 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B MAPT 2600/4885L3MBTL1 4595/4885HPGD 1571/4885

“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.