SCHEMBL509092

SCHEMBL509092

N#Cc1cc(O)cc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TTR P02766 2/20 0.52
ALB P02768 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP3 P08254 1/20 0.46
BACE1 P56817 1/20 0.41
EGFR P00533 2/20 0.37
VCAM1 P19320 1/20 0.37
GPR35 Q9HC97 2/20 0.37
TSHR P16473 1/20 0.36
PTPN11 Q06124 1/20 0.35
ENPP2 Q13822 2/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 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
SCHEMBL214163 0.94 CA12 (0.52) CA12CA2CA3CA6CA9
SCHEMBL9264989 0.94 CA12 (0.52) CA12CA2CA3CA6CA9
SCHEMBL60145 0.83 TTR (0.50) CA12CA2CA3CA6CA9
SCHEMBL29817086 0.82 TTR (0.43) CA12CA2CA3CA6CA9
SCHEMBL509567 0.82 ALDH1A1 (0.55) CA12CA2CA3CA6CA9
SCHEMBL29450984 0.82 ALDH1A1 (0.55) CA12CA2CA3CA6CA9
SCHEMBL508381 0.82 CA12 (0.55) CA12CA2CA3CA6CA9
SCHEMBL1883717 0.82 TTR (0.54) CA12CA2CA3CA6CA9
SCHEMBL22032834 0.82 TTR (0.43) CA12CA2CA3CA6CA9
SCHEMBL29413290 0.82 CA12 (0.55) CA12CA2CA3CA6CA9

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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119463444-A Flame-retardant modified composite plastic and preparation process thereof 中量电器实业(广东)有限公司 2025-02-18 CN claimed
WO-2013057593-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-25 WO claimed
WO-2013050884-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO claimed
US-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US claimed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 WO claimed
US-20250213705-A1 PSMA TARGETING LIGANDS AND METHODS OF USE BRIGHT PEAK THERAPEUTICS AG (CH) 2025-07-03 US disclosed
WO-2025041103-A1 PSMA TARGETING LIGANDS AND METHODS OF USE BRIGHT PEAK THERAPEUTICS AG (CH) 2025-02-27 WO disclosed
CN-119463444-A Flame-retardant modified composite plastic and preparation process thereof 中量电器实业(广东)有限公司 2025-02-18 CN disclosed
CN-119463444-A Flame-retardant modified composite plastic and preparation process thereof 中量电器实业(广东)有限公司 2025-02-18 CN disclosed
CN-113376962-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376965-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376963-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 WO disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 WO disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
US-5616659-A Low flammability thermoset polymers SOUTHWEST RESEARCH INSTITUTE (US) 1997-04-01 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
US-4347387-A ISOMERIZATION OF 7-HYDROXYGERANYLAMINES OR 7-HYDROXYNERYLAMINES, PALLADIUM-PHOSPHINE CATALYST, ACIDOLYSIS TAKASAGO PERFUMERY CO., LTD. (JP) 1982-08-31 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 (3 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 CA12 2958/4885CA2 783/4885CA3 294/4885
US-20250213705-A1 PSMA TARGETING LIGANDS AND METHODS OF USE FOLH1, KLK3, PSMA2 CA12 167/4885CA2 1971/4885CA3 2195/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CA12 4864/4885CA2 4647/4885CA3 4076/4885

“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.