SCHEMBL4012704

SCHEMBL4012704

N#Cc1ccc(NC(=O)c2nc(C(Cl)(Cl)Cl)n(-c3ccc(Cl)c(Cl)c3)n2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ABL1 P00519 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13901607 0.84 CYP2C19 (0.41) RPA1ALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL4019680 0.83 ALDH1A1 (0.38) RPA1ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL13901649 0.77 TP53 (0.45) ALDH1A1NPSR1TP53TSHRSMN1; SMN2
SCHEMBL13901598 0.77 CA1 (0.41) RPA1PDK1PDK2PDK3PDK4
SCHEMBL13901655 0.77 S1PR5 (0.48) CNR1
SCHEMBL13901651 0.77 IL2 (0.42) ALDH1A1NPSR1KDM4EHPGDABL1
SCHEMBL13912537 0.76 RAB9A (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL13901636 0.76 POLB (0.50) ALDH1A1SMN1; SMN2HPGDCYP2C9CYP2C19
SCHEMBL13901600 0.75 GAA (0.41) RPA1PDK1PDK2PDK3PDK4
SCHEMBL4015298 0.75 CNR1 (0.43) ALDH1A1KDM4EHPGDPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 RPA1 3051/4885PDK1 82/4885PDK2 276/4885

“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.