SCHEMBL18876339

SCHEMBL18876339

CCCCCCc1ccc(-c2cccnc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 3/20 0.62
STAT3 P40763 1/20 0.62
ATM Q13315 1/20 0.62
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
MAPK1 P28482 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52

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 0.85 RAB9A (0.73) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL16353202 0.85 RAB9A (0.73) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13527201 0.82 TDP1 (0.65) L3MBTL1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL10560635 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10558311 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10555730 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9839354 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10557405 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10556991 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10559744 0.82 RAB9A (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT

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 4 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-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 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 L3MBTL1 151/4885TDP1 1799/4885RAB9A 1008/4885

“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.