SCHEMBL13196404

SCHEMBL13196404

[C-]#[N+]C(c1ccccc1)c1ccc(C(C#N)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALPG P10696 2/20 0.44
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 4/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TNF P01375 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
SCHEMBL13198785 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL181005 0.82 TSHR (0.56) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL6307398 0.80 TSHR (0.54) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
Hydrochloric Acid SCHEMBL27539023 0.80 TSHR (0.54) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL909586 0.80 TSHR (0.54) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL3564463 0.80 DPP4 (0.43) LMNATSHRRAB9AMAPK1
Acetonitrile SCHEMBL28159901 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL5773518 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL5164828 0.75 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL9447402 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012203-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NOVALED GMBH (DE) 2017-01-12 US disclosed
US-9490432-B2 Quinoid compounds and their use in semiconducting matrix materials, electronic and optoelectronic structural elements NOVALED AG (DE) 2016-11-08 US disclosed
US-20100193774-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NOVALED AG (DE) 2010-08-05 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 (2 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-20170012203-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NES, VIM, PAX2 ALDH1A1 2575/4885SMN1; SMN2 3409/4885LMNA 926/4885
US-20100193774-A1 Quinoid Compounds and Their Use in Semiconducting Matrix Materials, Electronic and Optoelectronic Structural Elements NES, VIM, PAX2 ALDH1A1 2575/4885SMN1; SMN2 3409/4885LMNA 926/4885

“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.