SCHEMBL10307285

SCHEMBL10307285

Cc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccn6)ccc5-c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)cc4)cc3)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.41
RAB9A P51151 10/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
HSD17B10 Q99714 8/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 7/20 0.41
TP53 P04637 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 2/20 0.35
MAPT P10636 2/20 0.35
HCRTR1 O43613 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL10307278 0.94 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL835373 0.94 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL834350 0.94 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL10307274 0.91 TP53 (0.32) RAB9ASMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL835249 0.87 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL834231 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL834226 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL834330 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL829307 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL834337 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E

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-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-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

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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 NPC1 4201/4885RAB9A 3557/4885SMN1; SMN2 4106/4885

“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.