SCHEMBL835175

SCHEMBL835175

c1ccc(-c2cc(-c3ccc(-c4ccccn4)nc3-c3cc(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6o5)cc4)cc3-c3ccccc3)c(-c3ccccc3)cc2-c2ccc(-c3nc4ccccc4o3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.53
HSD17B10 Q99714 8/20 0.53
RAB9A P51151 8/20 0.53
TP53 P04637 7/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL834225 0.88 HSD17B10 (0.54) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834780 0.88 HSD17B10 (0.57) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834481 0.87 SMN1; SMN2 (0.51) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL835365 0.87 SMN1; SMN2 (0.51) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834314 0.87 NPC1 (0.56) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834248 0.85 HSD17B10 (0.57) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834330 0.85 NPC1 (0.59) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834337 0.85 NPC1 (0.59) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL829307 0.85 NPC1 (0.59) NPC1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL834835 0.85 NPC1 (0.51) NPC1HSD17B10RAB9ATP53SMN1; SMN2

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 10 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-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 NPC1 4201/4885HSD17B10 1425/4885RAB9A 3557/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 NPC1 4220/4885HSD17B10 1670/4885RAB9A 3455/4885

“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.