SCHEMBL835501

SCHEMBL835501

Brc1ccc(-c2nc(-c3ccccn3)ccc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
PKM P14618 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
KLF5 Q13887 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PADI1 Q9ULC6 1/20 0.40
PADI3 Q9ULW8 1/20 0.40
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40

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
SCHEMBL10307289 0.95 KDM4E (0.42) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834320 0.91 KDM4E (0.43) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL835331 0.90 KDM4E (0.42) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL828964 0.89 KDM4E (0.47) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834539 0.88 KDM4E (0.46) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834325 0.88 KDM4E (0.46) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834591 0.88 KDM4E (0.46) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834306 0.87 GRM5 (0.50) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834328 0.82 PDK2 (0.37) KDM4ELMNASMN1; SMN2TP53PKM
SCHEMBL834576 0.82 GRM5 (0.50) KDM4ELMNASMN1; SMN2TP53PKM

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-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 (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-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 KDM4E 2122/4885LMNA 1673/4885SMN1; SMN2 3978/4885

“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.