SCHEMBL12310841

SCHEMBL12310841

Nc1cccc(C(=O)Nc2nnn[nH]2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ ALPL P05186 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TERT O14746 2/20 0.37
▸ BTK Q06187 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PRKCI P41743 2/20 0.35

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
SCHEMBL1250218 0.87 ALDH1A1 (0.50) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL10792688 0.85 JAK2 (0.42) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL11556569 0.84 KDM4E (0.40) MMP2KDM4EALPLPOLBALDH1A1
SCHEMBL11559144 0.83 HSPD1 (0.40) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL11560867 0.83 KLKB1 (0.50) KDM4EALPLPOLBSMN1; SMN2KMT2A
SCHEMBL11557699 0.83 TERT (0.40) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL11559491 0.83 KDR (0.51) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL14511140 0.83 POLB (0.43) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL11105640 0.82 KDM4E (0.60) KDM4EALPLPOLBNPC1RAB9A
SCHEMBL11560143 0.81 MAPT (0.40) KDM4EALPLPOLBSMN1; SMN2MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 — — EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 — — US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 — — US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
US-7671212-B2 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-03-02 — — US disclosed
US-7671212-B2 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-03-02 — — US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 — — US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — 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 (5 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 MMP2 1170/4885KDM4E 4758/4885ALPL 4036/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 MMP2 1795/4885KDM4E 4760/4885ALPL 4476/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 MMP2 1795/4885KDM4E 4760/4885ALPL 4476/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 MMP2 1367/4885KDM4E 4781/4885ALPL 3693/4885
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 MMP2 1795/4885KDM4E 4760/4885ALPL 4476/4885

“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.

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