SCHEMBL26512422

SCHEMBL26512422

N#CC(C#N)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.42
CYP1A2 P05177 3/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3267344 0.86 NCF1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL11251120 0.81 NCF1 (0.40) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL404595 0.80 NCF1 (0.42) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL7995244 0.79 ALDH1A1 (0.51) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL6663983 0.77 ALDH1A1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL11813236 0.77 NCF1 (0.44) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL9009627 0.76 NCF1 (0.50) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL8035416 0.75 L3MBTL1 (0.45) CYP1A2ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL28580719 0.74 MAPT (0.49) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL10578784 0.74 L3MBTL1 (0.44) CYP1A2ALDH1A1HSD17B10KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059257-A Preparation method of cathepsin E response preparation and pancreatic cancer specific photodiagnosis and treatment application thereof 中国药科大学 2024-05-24 CN claimed
CN-120483972-B Quinoline-malononitrile derivative, preparation method thereof and application of quinoline-malononitrile derivative as near-infrared AIE fluorescent probe of targeted lysosome 烟台大学 2025-09-12 CN disclosed
CN-120463697-B Quinoline-malononitrile derivative, preparation method thereof and application of quinoline-malononitrile derivative as near-infrared AIE fluorescent probe targeting COX-2 烟台大学 2025-09-09 CN disclosed
CN-120483972-A Quinoline-malononitrile derivative, preparation method thereof and application of quinoline-malononitrile derivative as near-infrared AIE fluorescent probe of targeted lysosome 烟台大学 2025-08-15 CN disclosed
CN-120463697-A Quinoline-malononitrile derivative, preparation method thereof and application of quinoline-malononitrile derivative as near-infrared AIE fluorescent probe targeting COX-2 烟台大学 2025-08-12 CN disclosed
CN-115745882-B Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2025-03-25 CN disclosed
CN-115745882-B Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2025-03-25 CN disclosed
CN-119613394-A Preparation and application of fluorescent probe for detecting hypochlorous acid 华中师范大学 2025-03-14 CN disclosed
CN-119613394-A Preparation and application of fluorescent probe for detecting hypochlorous acid 华中师范大学 2025-03-14 CN disclosed
CN-118059257-A Preparation method of cathepsin E response preparation and pancreatic cancer specific photodiagnosis and treatment application thereof 中国药科大学 2024-05-24 CN disclosed
US-20230321043-A1 COMPOUNDS HAVING PSEUDOMONAS ANTI-BIOFILM PROPERTIES UNIV COPENHAGEN (DK) 2023-10-12 US disclosed
US-20230321043-A1 COMPOUNDS HAVING PSEUDOMONAS ANTI-BIOFILM PROPERTIES UNIV COPENHAGEN (DK) 2023-10-12 US disclosed
CN-115745882-A Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2023-03-07 CN disclosed
CN-115745882-A Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2023-03-07 CN 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-20230321043-A1 COMPOUNDS HAVING PSEUDOMONAS ANTI-BIOFILM PROPERTIES GMPS, PDE11A, CGAS NCF1 1796/4885CYP1A2 4787/4885NOS2 595/4885

“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.