SCHEMBL24328813

SCHEMBL24328813

O=C(O)c1c([N+](=O)[O-])cc2c(c1F)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
CDK2 P24941 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL31451745 0.89 MAPT (0.46) MAPTALDH1A1HTTCA1CA2
SCHEMBL29218374 0.87 MAPT (0.45) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL30884768 0.87 MAPT (0.45) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL31451763 0.77 ALDH1A1 (0.44) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL26688277 0.76 TXNRD1 (0.46) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL31697147 0.76 SMN1; SMN2 (0.45) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL22208563 0.76 SMN1; SMN2 (0.45) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL24328780 0.76 MAPT (0.42) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL11262989 0.75 TXNRD1 (0.46) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL30329662 0.75 MAPT (0.49) MAPTALDH1A1HTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
CN-115215808-A Compositions and methods for treating cancer 加利福尼亚大学董事会 2022-10-21 CN disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
WO-2022061202-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-24 WO disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 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-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 MAPT 389/4885ALDH1A1 2649/4885HTT 1720/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 MAPT 466/4885ALDH1A1 2584/4885HTT 2092/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR MAPT 393/4885ALDH1A1 2784/4885HTT 1943/4885

“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.