SCHEMBL835104

SCHEMBL835104

c1ccc(-c2cccc(-c3cc4nc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7-c7ccc(-c8ccc(-c9nc%10cc(-c%11cccc(-c%12ccccc%12)c%11)c(-c%11cccc(-c%12ccccc%12)c%11)cc%10o9)cc8)cc7)cc6)cc5)oc4cc3-c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.40
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
HSD17B10 Q99714 7/20 0.40
TP53 P04637 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
PKM P14618 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
KLF5 Q13887 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38

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
SCHEMBL834207 0.96 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834153 0.96 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL835365 0.92 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834481 0.92 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834217 0.91 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834761 0.90 HSD17B10 (0.42) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL835199 0.89 NPC1 (0.53) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834243 0.88 NPC1 (0.52) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834482 0.88 NPC1 (0.52) SMN1; SMN2RAB9ANPC1HSD17B10TP53
SCHEMBL834247 0.87 KDM4E (0.53) SMN1; SMN2RAB9ANPC1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 SMN1; SMN2 4106/4885RAB9A 3557/4885NPC1 4201/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 SMN1; SMN2 3978/4885RAB9A 3455/4885NPC1 4220/4885

“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.