SCHEMBL12522650

SCHEMBL12522650

Oc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
RRM1 P23921 2/20 0.67
RRM2 P31350 2/20 0.67
RRM2B Q7LG56 2/20 0.67
LMNA P02545 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM1A O60341 1/20 0.58
KDM4E B2RXH2 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NSD2 O96028 1/20 0.54
POLB P06746 1/20 0.54
MPI P34949 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
SCHEMBL1030790 0.85 KMT2A (0.71) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL14445009 0.85 KMT2A (0.71) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL12826251 0.85 KDM4E (0.54) MAPTRRM1RRM2RRM2BLMNA
SCHEMBL12453426 0.83 MAPT (0.68) MAPTRRM1RRM2RRM2BLMNA
SCHEMBL15457449 0.79 L3MBTL1 (0.74) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL5375954 0.78 MAPT (0.63) MAPTRRM1RRM2RRM2BLMNA
SCHEMBL5375949 0.78 MAPT (0.63) MAPTRRM1RRM2RRM2BLMNA
SCHEMBL12453311 0.77 KMT2A (0.65) MAPTRRM1RRM2RRM2BLMNA
SCHEMBL684939 0.74 KDM1A (1.00) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL26991 0.73 IDO1 (0.79) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed
US-20120238604-A1 CYTOTOXIC COMPOUNDS MOLECULAR DISCOVERY SYSTEMS (AU) 2012-09-20 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-20120238604-A1 CYTOTOXIC COMPOUNDS BAX, MKI67, EPCAM MAPT 2176/4885RRM1 4704/4885RRM2 4270/4885

“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.