SCHEMBL6712883

SCHEMBL6712883

Nc1c(O)ccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 2/20 0.52
CTSB P07858 2/20 0.52
HIF1A Q16665 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
GPR35 Q9HC97 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL15220550 0.86 TDP1 (0.56) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL8311312 0.85 MAPK1 (0.55) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL30198648 0.85 MAPK1 (0.55) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL1962854 0.83 GPR35 (0.55) MAPK1ALOX15HSD17B10L3MBTL1TSHR
Hydrochloric Acid SCHEMBL27568534 0.83 MAPK1 (0.53) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL10907363 0.83 GPR35 (0.55) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL4964293 0.82 TDP1 (0.52) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL1399686 0.82 TSHR (0.52) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL94283 0.81 GPR35 (0.62) MAPK1ALOX15HSD17B10L3MBTL1TSHR
SCHEMBL2892616 0.81 GPR35 (0.62) MAPK1ALOX15HSD17B10L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118806618-A Hair cleansing compositions 日本乐敦制药株式会社 2024-10-22 CN disclosed
CN-111201009-B Hair cleansing compositions 日本乐敦制药株式会社 2024-08-16 CN disclosed
CN-107253914-B The method for preparing 2- Amino-4-nitrophenol using Disperse Blue 2BLN byproduct 青岛海湾集团有限公司 2019-10-25 CN disclosed
US-20040235908-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists SCHERING CORPORATION 2004-11-25 US disclosed
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists PHARMACOPEIA, INC. 2003-10-30 US disclosed
EP-1355875-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-10-29 EP disclosed
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists SCHERING CORPORATION 2003-05-22 US disclosed
WO-2002076926-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2002-10-03 WO disclosed
EP-0093369-B1 REACTIVE DYES BAYER AG (DE) 1986-07-23 EP disclosed
EP-0093369-A2 Reactive dyes BAYER AG (DE) 1983-11-09 EP 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-20040235908-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists CCR1, CXCR1, ACKR3 MAPK1 438/4885ALOX15 349/4885HSD17B10 895/4885
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists CCR1, ACKR3, CXCR1 MAPK1 358/4885ALOX15 634/4885HSD17B10 788/4885
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists CCR1, CXCR1, ACKR3 MAPK1 438/4885ALOX15 349/4885HSD17B10 895/4885

“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.