SCHEMBL29312031

SCHEMBL29312031

c1cc(N2CCN3CCN=C32)cc(N2CCN3CCN=C32)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM2B Q8NHM5 10/20 0.34
DHFR P00374 1/20 0.33

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
SCHEMBL23075907 0.82 POLB (0.39) ADRA2CLMNA
SCHEMBL9803211 0.81 SIGMAR1 (0.60) ADRA2CSIGMAR1ALDH1A1LMNAMAPT
SCHEMBL29312032 0.78 HTR3A (0.40) SIGMAR1ALDH1A1KDM2B
SCHEMBL29312041 0.77 PDK2 (0.34)
SCHEMBL29312037 0.76 OPRM1 (0.32) SIGMAR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL15221262 0.75 SIGMAR1 (0.53) ADRA2CSIGMAR1ALDH1A1LMNAMAPT
SCHEMBL29312040 0.75 PDK2 (0.41)
SCHEMBL29312033 0.75 PDK2 (0.41)
SCHEMBL29274507 0.75 PDK2 (0.41)
SCHEMBL29312039 0.74 NOS1 (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237526-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-07-11 US disclosed
US-20240237526-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-07-11 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-20240237526-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, AND ELECTRONIC DEVICE CHRM1, CYP1A1, HAX1 ADRA2C 914/4885SIGMAR1 17/4885ALDH1A1 237/4885

“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.