SCHEMBL24344787

SCHEMBL24344787

Nc1ccc(C(=O)O)c(-c2nn[nH]n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
IDO1 P14902 3/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
ESR2 Q92731 1/20 0.45
PTPN1 P18031 1/20 0.45
GPR35 Q9HC97 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
FTO Q9C0B1 1/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL28492133 0.84 XDH (0.54) XDHIDO1ALDH1A1KDM4EGPR35
SCHEMBL30610302 0.82 XDH (0.53) XDHIDO1ALDH1A1KDM4EGAA
SCHEMBL29124005 0.80 AGTR1 (0.46) ALDH1A1MAPTCYP3A4GAAMEN1
SCHEMBL31227741 0.78 IDO1 (0.66) IDO1ALDH1A1MAPTKDM4EGAA
SCHEMBL30786303 0.78 ALDH1A1 (0.63) XDHIDO1ALDH1A1GAAMEN1
SCHEMBL7019052 0.78 ALDH1A1 (0.63) XDHIDO1ALDH1A1GAAMEN1
SCHEMBL26926029 0.77 GPR35 (0.43) ALDH1A1MAPTKDM4EGAAGPR35
SCHEMBL26926165 0.77 GPR35 (0.40) XDHIDO1MAPTGPR35
SCHEMBL26926510 0.76 GPR35 (0.42) XDHIDO1MAPTCYP3A4KDM4E
SCHEMBL7295418 0.76 KDM4E (0.65) IDO1ALDH1A1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613484-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2024-09-06 CN disclosed
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 CN disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 XDH 2158/4885IDO1 1929/4885ALDH1A1 1219/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 XDH 2158/4885IDO1 1929/4885ALDH1A1 1219/4885

“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.