SCHEMBL10050448

SCHEMBL10050448

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)cnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ADORA1 P30542 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 2/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ATR Q13535 2/20 0.33
SQOR Q9Y6N5 4/20 0.33
TP53 P04637 1/20 0.32
IL4 P05112 1/20 0.32
TOP1 P11387 2/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL10050458 0.89 ATR (0.40) MAOBATRALDH1A3
SCHEMBL10050444 0.88 MAOB (0.37) ALDH1A1MAOBATRTOP1CYP1A2
SCHEMBL10050441 0.84 ADORA1 (0.37) MAPTADORA1ALDH1A1ADORA2ANPC1
SCHEMBL10074504 0.84 MAPT (0.37) MAPTADORA1ALDH1A1ADORA2ANPC1
SCHEMBL10050445 0.84 ATR (0.40) MAOBATRALDH1A3
SCHEMBL10050443 0.84 MAOB (0.37) ALDH1A1MAOBATRTOP1CYP1A2
SCHEMBL10050446 0.84 ATR (0.36) ADORA1ADORA2AMAOBSMN1; SMN2ATR
SCHEMBL10050473 0.76 PARP1 (0.38) MAOBATRTOP1
SCHEMBL10074510 0.72 ATR (0.44) MAOBATRALDH1A3
SCHEMBL10050435 0.72 MAOB (0.38) MAOBALDH1A3MEN1KMT2A

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 MAPT 4038/4885ADORA1 2796/4885ALDH1A1 1634/4885

“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.