SCHEMBL8686129

SCHEMBL8686129

O=C(O)C(O)c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
TSHR P16473 3/20 0.47
MMP2 P08253 2/20 0.47
METAP2 P50579 2/20 0.47
METAP1 P53582 2/20 0.47
CHRM1 P11229 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PSMD14 O00487 1/20 0.47
COPS5 Q92905 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL28117700 0.81 MAPT (0.49) PARP1TSHRMMP2METAP2METAP1
SCHEMBL16084043 0.80 MMP2 (0.55) PARP1TSHRMMP2METAP2METAP1
SCHEMBL17541529 0.77 MMP2 (0.52) PARP1TSHRMMP2METAP2METAP1
SCHEMBL19682364 0.76 PARP1 (0.46) PARP1TSHRMMP2METAP2METAP1
SCHEMBL20889269 0.76 PARP1 (0.46) PARP1TSHRMMP2METAP2METAP1
SCHEMBL28010277 0.76 LMNA (0.50) PARP1TSHRMMP2METAP2METAP1
SCHEMBL3639223 0.75 P2RX7 (0.42) KDM4ELMNATDP1
SCHEMBL25108902 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL5185814 0.75 PARP1 (0.47) PARP1TSHRMMP2METAP2METAP1
SCHEMBL1837396 0.74 KDM4E (0.53) TSHRMETAP2METAP1ALDH1A1KDM4E

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
EP-0626958-A1 SULFONYLUREAS AS HERBICIDES CIBA-GEIGY AG (CH) 1994-12-07 EP claimed
WO-1993017016-A1 SULFONYLUREAS AS HERBICIDES CIBA-GEIGY AG (CH) 1993-09-02 WO claimed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-112087950-B Use of safeners for increasing the resistance of rice crops to herbicides 安道麦阿甘有限公司 2023-02-28 CN disclosed
US-5756422-A PLANT SAFENING AGENTS HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
EP-0626958-A1 SULFONYLUREAS AS HERBICIDES CIBA-GEIGY AG (CH) 1994-12-07 EP disclosed
WO-1993017016-A1 SULFONYLUREAS AS HERBICIDES CIBA-GEIGY AG (CH) 1993-09-02 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 (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-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 PARP1 1678/4885TSHR 4189/4885MMP2 536/4885

“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.