SCHEMBL3398445

SCHEMBL3398445

CC(C)(C)c1cccc(-c2ccccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 1/20 0.52
KIF11 P52732 1/20 0.49
S1PR1 P21453 1/20 0.46
PTAFR P25105 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL31326803 0.85 KIF11 (0.49) ALDH1A1HSD17B10KIF11S1PR1PTAFR
SCHEMBL841200 0.85 KIF11 (0.49) ALDH1A1HSD17B10KIF11S1PR1PTAFR
SCHEMBL23610039 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10KIF11S1PR1RXRA
SCHEMBL31115680 0.85 KIF11 (0.52) ALDH1A1KIF11PTAFRRXRARXRB
SCHEMBL398678 0.81 ADORA2A (0.54) ALDH1A1HSD17B10NPC1RAB9APTPN5
Hydrogen Sulfide SCHEMBL27798476 0.81 KIF11 (0.52) ALDH1A1KIF11PTAFRRXRARXRB
SCHEMBL28975155 0.81 KIF11 (0.52) ALDH1A1KIF11S1PR1PTAFRRXRA
SCHEMBL30284747 0.81 KIF11 (0.52) ALDH1A1KIF11S1PR1PTAFRRXRA
SCHEMBL31754131 0.80 KIF11 (0.47) ALDH1A1KIF11PTAFRRXRARXRB
SCHEMBL23421772 0.80 CNR1 (0.49) ALDH1A1HSD17B10S1PR1PTAFRL3MBTL1

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-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
EP-2248868-B1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2018-09-19 EP disclosed
EP-2248868-A1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2010-11-10 EP 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 (2 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS ALDH1A1 2955/4885HSD17B10 2330/4885KIF11 2748/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 ALDH1A1 4102/4885HSD17B10 3043/4885KIF11 4007/4885

“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.