SCHEMBL22506971

SCHEMBL22506971

CN1c2ccccc2NCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
BRPF1 P55201 1/20 0.41
BRD4 O60885 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ATM Q13315 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30991563 0.80 ATM (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6587620 0.77 GAA (0.45) MEN1GAAKMT2ABRPF1BRD4
SCHEMBL21291833 0.77 ATM (0.48) GAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL28324498 0.75 MEN1 (0.44) MEN1GAAKMT2ABRPF1BRD4
SCHEMBL20403565 0.74 MEN1 (0.35) MEN1GAAKMT2ABRPF1BRD4
SCHEMBL17643637 0.73 MEN1 (0.35) MEN1GAAKMT2ABRPF1BRD4
SCHEMBL27641117 0.72 BRPF1 (0.45) MEN1GAAKMT2ABRPF1BRD4
SCHEMBL30232822 0.71 CFTR (0.35) MEN1GAAKMT2ABRPF1
SCHEMBL11347631 0.69 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13196859 0.69 BRD4 (0.47) MEN1GAAKMT2ABRD4NPSR1

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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB MEN1 2493/4885GAA 2009/4885KMT2A 2223/4885

“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.