SCHEMBL4124208

SCHEMBL4124208

COc1ccccc1Nc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 4/20 0.56
GAA P10253 3/20 0.56
NPC1 O15118 3/20 0.56
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK10 P53779 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
EGFR P00533 2/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL3191755 0.87 MAPT (0.69) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL5923798 0.85 MAPT (0.67) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL1335946 0.80 ALDH1A1 (0.54) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL3940200 0.78 KMT2A (0.60) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL5451204 0.78 MAPT (0.58) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL5923796 0.77 MAPT (0.81) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL21345483 0.77 EGFR (0.51) MAPTALDH1A1RAB9AMAPK1L3MBTL1
SCHEMBL1922107 0.76 MAPT (0.62) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL26980980 0.76 TP53 (0.59) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL13800719 0.76 MAPT (0.56) MAPTALDH1A1RAB9AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 MAPT 3482/4885ALDH1A1 2127/4885RAB9A 1722/4885

“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.