SCHEMBL979433

SCHEMBL979433

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.82
MAPT P10636 6/20 0.82
RAB9A P51151 5/20 0.82
POLB P06746 4/20 0.82
KMT2A Q03164 4/20 0.82
NPC1 O15118 3/20 0.82
PTK2B Q14289 1/20 0.82
CASP3 P42574 1/20 0.66
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
F12 P00748 1/20 0.61
KDM4E B2RXH2 8/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 4/20 0.60
GFER P55789 1/20 0.60
ALDH1A1 P00352 8/20 0.56
HPGD P15428 4/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL982575 0.90 SMN1; SMN2 (1.00) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL18216694 0.83 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL29350605 0.83 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL980106 0.82 RAB9A (0.78) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL980173 0.81 SMN1; SMN2 (0.77) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL979418 0.79 CASP3 (1.00) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL32664390 0.79 CASP3 (1.00) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL978553 0.77 CASP3 (0.81) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL980334 0.75 SMN1; SMN2 (0.68) SMN1; SMN2MAPTRAB9APOLBKMT2A
SCHEMBL25312016 0.75 ALDH1A1 (0.81) SMN1; SMN2MAPTRAB9APOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 SMN1; SMN2 1555/4885MAPT 3013/4885RAB9A 3095/4885

“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.