SCHEMBL714489

SCHEMBL714489

CC(C)(C)c1ccc(-c2nnc(-c3[c]cccc3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 2/20 0.36
P2RY1 P47900 1/20 0.35

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
SCHEMBL711540 0.82 ALDH1A1 (0.44) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL7805156 0.80 NPC1 (0.75) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL14062423 0.80 NPC1 (0.75) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL6303218 0.79 NPC1 (0.64) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL322651 0.79 KIF11 (0.41) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL7898934 0.79 NPC1 (0.72) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL714490 0.78 NPC1 (0.62) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL2788809 0.77 KIF11 (0.44) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL714040 0.75 ESR1 (0.40) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL713686 0.75 PTPN11 (0.42) RAB9ANPC1KDM4EALDH1A1HPGD

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 RAB9A 440/4885NPC1 2154/4885KDM4E 2863/4885

“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.