SCHEMBL5651714

SCHEMBL5651714

COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
ERN1 O75460 1/20 0.52
EGFR P00533 1/20 0.51
ADAMTS4 O75173 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
VCAM1 P19320 1/20 0.49
PTPRC P08575 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN1 P18031 1/20 0.49
CDC25B P30305 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL4726931 0.85 VCAM1 (0.59) ALDH1A1MAPTPOLBERN1EGFR
SCHEMBL29708208 0.85 VCAM1 (0.59) ALDH1A1MAPTPOLBERN1EGFR
SCHEMBL7815751 0.84 ERN1 (0.58) ALDH1A1TDP1MAPTPOLBERN1
SCHEMBL19010023 0.84 ERN1 (0.61) MAPTPOLBERN1EGFRVCAM1
SCHEMBL9310402 0.83 ALDH1A1 (0.62) ALDH1A1TDP1MAPTPOLBADAMTS4
SCHEMBL2484847 0.82 VCAM1 (0.57) ALDH1A1TDP1MAPTPOLBERN1
SCHEMBL497490 0.81 ERN1 (0.55) MAPTPOLBERN1EGFRVCAM1
SCHEMBL2349847 0.81 ALDH1A1 (0.70) ALDH1A1TDP1MAPTPOLBERN1
SCHEMBL12863732 0.80 MAPT (0.52) ALDH1A1TDP1MAPTPOLBERN1
SCHEMBL498267 0.80 KDM4E (0.54) ALDH1A1MAPTPOLBERN1EGFR

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
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. 2024-11-14 US disclosed
EP-4373816-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) Dana-Farber Cancer Institute, Inc. (US) 2024-05-29 EP disclosed
WO-2023003973-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-26 WO disclosed
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 ALDH1A1 1570/4885TDP1 4423/4885MAPT 4848/4885
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) USP7, USP47, USP2 ALDH1A1 2692/4885TDP1 890/4885MAPT 1018/4885

“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.