SCHEMBL29946313

SCHEMBL29946313

CN(C)c1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 1.00
CYP1A2 P05177 3/20 0.52
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.48
PTK2 Q05397 1/20 0.47
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 2/20 0.45
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL31650826 1.00 NCF1 (1.00) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL4263734 1.00 NCF1 (1.00) NCF1CYP1A2HIF1ALMNAPTK2
Quinoline SCHEMBL28116903 0.89 NCF1 (0.79) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL12383278 0.86 NCF1 (0.76) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL3644084 0.83 NCF1 (0.70) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL12014904 0.81 NCF1 (0.68) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL4556260 0.80 NCF1 (0.65) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL13557858 0.79 NCF1 (0.66) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL9279566 0.78 NCF1 (0.63) NCF1CYP1A2HIF1ALMNAPTK2
SCHEMBL13557868 0.78 NCF1 (0.63) NCF1CYP1A2HIF1ALMNAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586893-B1 COPPER PLATING BATH AND CORRESPONDING METHOD ROHM & HAAS ELECT MAT (US) 2022-09-21 EP claimed
CN-119546572-A Novel naphthyl and isoquinoline sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 US disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 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-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE NCF1 3667/4885CYP1A2 831/4885HIF1A 1930/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 NCF1 3197/4885CYP1A2 3456/4885HIF1A 1645/4885

“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.