SCHEMBL3032205

SCHEMBL3032205

N#Cc1ccc([O])c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
STS P08842 1/20 0.40
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
VCAM1 P19320 2/20 0.37
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
RAD51 Q06609 1/20 0.35
CASP3 P42574 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 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
SCHEMBL3027684 0.83 IMPDH2 (0.42) IMPDH2IMPDH1STSCA2CA1
SCHEMBL818327 0.77 IMPDH2 (0.45) IMPDH2IMPDH1STSCA2CYP2A6
SCHEMBL30488974 0.77 IMPDH2 (0.45) IMPDH2IMPDH1STSCA2CYP2A6
SCHEMBL25418472 0.75 STS (0.50) IMPDH2IMPDH1STSCA2CA1
SCHEMBL7349772 0.74 IMPDH2 (0.39) IMPDH2IMPDH1STSCA2CA1
SCHEMBL17796275 0.74 TRPV4 (0.38) ALDH1A1
SCHEMBL9087127 0.74 VCAM1 (0.48) CA2CA1VCAM1TSHR
SCHEMBL17796253 0.74 CYP2A6 (0.46) IMPDH2IMPDH1CA2CA1CYP2A6
SCHEMBL8731805 0.74 KIF11 (0.39) CA2CA1VCAM1CYP2A6ALDH1A1
SCHEMBL3031435 0.74 ALDH1A1 (0.41) CYP2A6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113376964-B Coloring composition and compound 住友化学株式会社 2024-04-26 CN disclosed
CN-113631661-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-11-07 CN disclosed
CN-113454167-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-08-15 CN disclosed
CN-107793407-B Compounds useful as colorants 住友化学株式会社 2022-07-08 CN disclosed
CN-107797382-B Coloring composition 住友化学株式会社 2022-02-22 CN disclosed
CN-107797381-B Coloring composition and compound 住友化学株式会社 2022-02-18 CN disclosed
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 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

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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 IMPDH2 1699/4885IMPDH1 754/4885STS 2308/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 IMPDH2 4290/4885IMPDH1 3603/4885STS 2323/4885

“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.