SCHEMBL16353202

SCHEMBL16353202

CCCCCCc1ccc(-c2ccccc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
NPC1 O15118 6/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
MAPT P10636 3/20 0.73
STAT3 P40763 1/20 0.73
ATM Q13315 1/20 0.73
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.67
CASP3 P42574 2/20 0.67
SENP8 Q96LD8 2/20 0.67
SENP7 Q9BQF6 2/20 0.67
SENP6 Q9GZR1 2/20 0.67
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 1/20 0.52
HSD11B1 P28845 1/20 0.51

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
SCHEMBL10418355 1.00 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTSTAT3
Acetic Acid SCHEMBL9271229 0.90 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9839581 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10557405 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10560635 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10559744 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10555730 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10556991 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10557531 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9839354 0.90 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-9705097-B2 Metal complex and light-emitting device containing the metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20140374727-A1 METAL COMPLEX AND LIGHT-EMITTING DEVICE CONTAINING THE METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-25 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 RAB9A 1008/4885NPC1 2687/4885SMN1; SMN2 3079/4885

“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.