SCHEMBL4019680

SCHEMBL4019680

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPA1 P27694 2/20 0.33
MAPT P10636 2/20 0.33
KDR P35968 1/20 0.33
NOTUM Q6P988 1/20 0.32

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 0.85 CYP2C19 (0.41) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL4012704 0.83 RPA1 (0.43) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL13901649 0.78 TP53 (0.45) ALDH1A1HPGDKDM4ECNR1CNR2
SCHEMBL13901598 0.78 CA1 (0.41) ALDH1A1KDM4EMEN1KMT2ARPA1
SCHEMBL13901655 0.77 S1PR5 (0.48) CNR1
SCHEMBL13901651 0.77 IL2 (0.42) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL13912537 0.77 RAB9A (0.39) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL13901636 0.76 POLB (0.50) ALDH1A1HPGDCYP2C9CYP2C19POLB
SCHEMBL13901600 0.76 GAA (0.41) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL4015298 0.76 CNR1 (0.43) ALDH1A1HPGDKDM4EPOLBLMNA

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 ALDH1A1 1426/4885HPGD 1034/4885KDM4E 4055/4885

“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.