SCHEMBL9603963

SCHEMBL9603963

Cc1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)oc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
DHODH Q02127 1/20 0.39
PRKDC P78527 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 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
SCHEMBL9603949 0.92 DHODH (0.47) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603953 0.91 DHODH (0.49) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603960 0.89 ALOX5 (0.45) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603939 0.89 ALOX5 (0.45) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603964 0.88 ALOX5 (0.43) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603962 0.88 TNF (0.43) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603952 0.87 ALOX5 (0.45) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603956 0.87 DHODH (0.45) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603954 0.86 ALOX5 (0.48) NPC1RAB9AALOX5SMN1; SMN2KDM4E
SCHEMBL9603955 0.86 ALOX5 (0.48) NPC1RAB9AALOX5SMN1; SMN2KDM4E

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-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 NPC1 4611/4885RAB9A 3002/4885ALOX5 720/4885

“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.