SCHEMBL3577771

SCHEMBL3577771

CCNc1ccccc1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MT-CO2 P00403 1/20 0.53
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SLC6A5 Q9Y345 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ESRRG P62508 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL3576186 0.86 NPC1 (0.57) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL11218465 0.86 MT-CO2 (0.55) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL8096449 0.78 ADRA1D (0.59) ALDH1A1KDM4E
SCHEMBL3407189 0.75 RAB9A (0.63) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL29858570 0.75 RAB9A (0.63) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL21870107 0.74 RAB9A (0.67) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL2332195 0.74 RAB9A (0.88) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6097905 0.73 MT-CO2 (0.59) NPC1RAB9AMT-CO2HPGDSMN1; SMN2
SCHEMBL28665581 0.73 MEN1 (0.72) NPC1RAB9APOLBPTGS2
SCHEMBL23740293 0.72 ADRA1D (0.48) HPGDSMN1; SMN2ALDH1A1KDM4ELMNA

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC NPC1 3237/4885RAB9A 1226/4885MT-CO2 858/4885

“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.