SCHEMBL9489644

SCHEMBL9489644

O=C(O)c1cc(O)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
DTYMK P23919 1/20 0.49
CDK2 P24941 2/20 0.48
GPR35 Q9HC97 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TPMT P51580 1/20 0.45
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL9489661 1.00 CA1 (0.50) CA1CA2DTYMKCDK2GPR35
SCHEMBL3707307 0.90 CA1 (0.49) CA1CA2DTYMKCDK2GPR35
SCHEMBL629699 0.90 CA1 (0.49) CA1CA2DTYMKCDK2GPR35
SCHEMBL772640 0.87 CASP6 (0.57) CA1CA2DTYMKGPR35ALDH1A1
SCHEMBL2722414 0.86 DTYMK (0.51) CA1CA2DTYMKCDK2GPR35
SCHEMBL4374393 0.85 ALDH1A1 (0.53) CA1CA2DTYMKGPR35MAPK1
SCHEMBL16321653 0.85 CA1 (0.45) CA1CA2DTYMKCDK2GPR35
SCHEMBL31229767 0.85 CDK2 (0.47) CA1CA2DTYMKCDK2GPR35
SCHEMBL2240139 0.85 TSHR (0.53) CA1CA2DTYMKGPR35MAPK1
SCHEMBL1787500 0.85 ALDH1A1 (0.50) CA1CA2DTYMKGPR35MAPK1

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
WO-2024238872-A2 ISOINDOLINONE-GLUTARIMIDE ANTIBODY CONJUGATES, AND USES THEREOF FIREFLY BIO, INC. (US) 2024-11-21 WO disclosed
US-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT KEIO UNIVERSITY (JP) 2019-10-17 US disclosed
EP-3530652-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT Keio University (JP) 2019-08-28 EP disclosed
US-5180419-A Herbicidal 2-(2-imidazolin-2-yl)-benzo-(5-membered)-heterocycles and the use thereof AMERICAN CYANAMID COMPANY (US) 1993-01-19 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 (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-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT HNRNPL, HNRNPLL, CCNL2 CA1 4358/4885CA2 3945/4885DTYMK 3506/4885

“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.