SCHEMBL980408

SCHEMBL980408

O=C(Nc1cccc(-c2cccnc2)c1)c1cc2cccc(O)c2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
AKR1C3 P42330 8/20 0.51
CBR1 P16152 3/20 0.49
AR P10275 2/20 0.49
MAPK1 P28482 1/20 0.47
CNR1 P21554 1/20 0.47
CASP3 P42574 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL978163 0.90 MAOB (0.52) MAOAMAOBAKR1C3CBR1AR
SCHEMBL980671 0.89 MAPK1 (0.55) MAOAMAOBAKR1C3CBR1AR
SCHEMBL980118 0.87 CASP3 (0.63) KMT2APOLBMAPTMAOBCASP3
SCHEMBL979386 0.86 AKR1C3 (0.51) KMT2APOLBMAPTMAOAMAOB
SCHEMBL981334 0.84 MAOB (0.53) KMT2APOLBMAPTMAOAMAOB
SCHEMBL980848 0.83 CASP3 (0.50) KMT2APOLBMAPTMAOAMAOB
SCHEMBL982797 0.83 AKR1C3 (0.59) MAOAMAOBAKR1C3CBR1AR
SCHEMBL981176 0.82 CASP3 (0.51) KMT2AMAPTMAOAMAOBAKR1C3
SCHEMBL978881 0.82 MAOB (0.48) KMT2AMAOAMAOBAKR1C3CBR1
SCHEMBL981025 0.82 CASP3 (0.51) KMT2APOLBMAPTMAOAMAOB

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 KMT2A 3710/4885POLB 1543/4885MAPT 3013/4885

“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.