SCHEMBL4138608

SCHEMBL4138608

COc1ccccc1Nc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 7/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.46
MAPK1 P28482 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
PTPN11 Q06124 2/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
MAPK10 P53779 1/20 0.42

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
SCHEMBL2044796 0.84 TDP1 (0.50) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL56425 0.80 CA1 (0.50) ALDH1A1POLBMAPK1L3MBTL1SMN1; SMN2
SCHEMBL3191755 0.80 MAPT (0.69) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL8459532 0.78 CA1 (0.48) ALDH1A1POLBMAPK1L3MBTL1SMN1; SMN2
SCHEMBL5923798 0.78 MAPT (0.67) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL13800740 0.77 SLC2A1 (0.41) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL4124328 0.77 MAPT (0.49) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL30992110 0.76 CA1 (0.50) ALDH1A1POLBMAPK1L3MBTL1SMN1; SMN2
SCHEMBL476857 0.76 CA1 (0.50) ALDH1A1POLBMAPK1L3MBTL1SMN1; SMN2
SCHEMBL16318152 0.75 CYP3A4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 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 (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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 MAPT 3482/4885ALDH1A1 2127/4885NPC1 1526/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 MAPT 3514/4885ALDH1A1 2738/4885NPC1 275/4885

“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.