SCHEMBL4351864

SCHEMBL4351864

COC1=CC(=NN=C2c3ccccc3-c3ccccc32)C(C=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
IDO1 P14902 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HCRTR1 O43613 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL6505119 0.70 GAA (0.47) L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL9755397 0.68 CDC25A (0.38) PTPN1IDO1CDC25ACDC25BHCRTR1
SCHEMBL29711937 0.66 GPR3 (0.41) CDC25BALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL224931 0.66 GPR3 (0.41) CDC25BALDH1A1CYP1A2CYP2D6KMT2A
Methylamine SCHEMBL27789000 0.65 GPR3 (0.41) CYP1A2KMT2A
SCHEMBL27818816 0.64 GPR3 (0.39) CDC25BALDH1A1CYP1A2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL27768859 0.64 GPR3 (0.39) CDC25BALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL6219365 0.64 KMT2A (0.34) CDC25ACDC25BALDH1A1CYP1A2CYP2C9
Trimethylammonium SCHEMBL27767358 0.63 GPR3 (0.50) ALDH1A1KMT2A
SCHEMBL3907869 0.63 KMT2A (0.59) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C9

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
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO claimed
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP disclosed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST PTPN1 3441/4885IDO1 4527/4885CDC25A 886/4885

“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.