SCHEMBL5058415

SCHEMBL5058415

O=[N+]([O-])c1cccc(C2CNCCO2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
HTR1A P08908 1/20 0.56
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL5118709 0.82 DRD2 (0.47) DRD2DRD3
SCHEMBL2295355 0.82 DRD2 (0.47) DRD2DRD3
SCHEMBL2295207 0.82 DRD2 (0.47) DRD2DRD3
SCHEMBL177269 0.79 LMNA (0.55) LMNAKDM4EALDH1A1TSHRMEN1
SCHEMBL177270 0.79 LMNA (0.55) LMNAKDM4EALDH1A1TSHRMEN1
SCHEMBL16824940 0.79 LMNA (0.55) LMNAKDM4EALDH1A1TSHRMEN1
SCHEMBL27083132 0.78 PRKACA (0.47) DRD2DRD3HTR1APRKACAPRKACG
SCHEMBL22089840 0.78 DRD2 (0.41) DRD2DRD3
SCHEMBL1336667 0.78 CHRNB4 (0.45)
SCHEMBL10792347 0.77 KDM4E (0.49) LMNAKDM4EALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 DRD2 4819/4885DRD3 4830/4885HTR1A 4472/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 DRD2 4819/4885DRD3 4830/4885HTR1A 4472/4885

“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.