SCHEMBL890329

SCHEMBL890329

C1=CC2C=CC(c3ccc4sc5c(-c6ccc(-c7nnc(-c8ccccc8)n7-c7ccccc7)cc6)cc(-c6ccc7ccccc7c6)cc5c4c3)=CC2C=C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL889832 0.86 HPGD (0.39) AKT1HPGDSMN1; SMN2
SCHEMBL889636 0.85 AVPR1A (0.40) AKT1HPGDSMN1; SMN2
SCHEMBL889589 0.79 AVPR1A (0.46) HPGDSMN1; SMN2
SCHEMBL889602 0.79 AVPR1A (0.46) HPGDSMN1; SMN2
SCHEMBL889641 0.78 AVPR1A (0.44) HPGDSMN1; SMN2
SCHEMBL889654 0.76 AVPR1A (0.39) HPGDSMN1; SMN2
SCHEMBL889711 0.76 AVPR1A (0.45) HPGDSMN1; SMN2
SCHEMBL889604 0.74 AVPR1A (0.42) HPGDSMN1; SMN2
SCHEMBL12349167 0.74 ESR1 (0.42)
SCHEMBL889601 0.73 AVPR1A (0.37) HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-11-24 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-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 AKT1 3907/4885HPGD 1989/4885SMN1; SMN2 4747/4885

“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.