SCHEMBL4216463

SCHEMBL4216463

O=C(O)Cc1cn(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.58
AKR1C2 P52895 3/20 0.58
ABCB1 P08183 4/20 0.55
PTGS1 P23219 2/20 0.55
AKR1C4 P17516 1/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 2/20 0.46
MCL1 Q07820 3/20 0.45
CDC25A P30304 1/20 0.44
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
PLK1 P53350 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
SCHEMBL20769675 0.82 AKR1C3 (0.72) AKR1C3AKR1C2ABCB1PTGS1AKR1C4
SCHEMBL13802421 0.80 KMT2A (0.57) AKR1C3AKR1C2ABCB1PTGS1AKR1C4
SCHEMBL13802399 0.80 KMT2A (0.59) ALDH1A1KMT2APTGS2POLB
SCHEMBL9153676 0.80 AKR1C3 (0.50) AKR1C3AKR1C2ABCB1PTGS1AKR1C4
SCHEMBL27474952 0.80 AKR1C3 (0.59) AKR1C3AKR1C2ABCB1PTGS1AKR1C4
SCHEMBL2467334 0.78 CDC25A (0.54) AKR1C3AKR1C2ALDH1A1LMNAMCL1
SCHEMBL16476520 0.76 AKR1C3 (0.55) AKR1C3AKR1C2ABCB1PTGS1AKR1C4
SCHEMBL31432746 0.76 CDC25A (0.55) ALDH1A1LMNAMCL1CDC25APOLB
SCHEMBL12479702 0.76 CDC25A (0.51) ALDH1A1LMNAMCL1CDC25APLK1
SCHEMBL13813994 0.76 PTGS2 (0.54) ALDH1A1KMT2APTGS2POLB

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C3 570/4885AKR1C2 653/4885ABCB1 139/4885

“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.