SCHEMBL4013777

SCHEMBL4013777

O=C(O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 10/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPP1CA P62136 2/20 0.39
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4015965 0.89 RPA1 (0.41) RPA1HTTALDH1A1L3MBTL1NOTUM
SCHEMBL4013535 0.86 RPA1 (0.40) RPA1HTTALDH1A1L3MBTL1NOTUM
SCHEMBL4093594 0.83 KDM4E (0.48) HTTALDH1A1L3MBTL1PPP1CANOTUM
SCHEMBL13901603 0.81 KMT2A (0.55) HTTL3MBTL1NOTUM
SCHEMBL13901607 0.80 CYP2C19 (0.41) RPA1ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL13901636 0.78 POLB (0.50) HTTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4015298 0.77 CNR1 (0.43) ALDH1A1KDM4E
SCHEMBL123976 0.77 HTT (0.53) RPA1HTTALDH1A1NOTUMKDM4E
SCHEMBL29355367 0.77 HTT (0.53) RPA1HTTALDH1A1NOTUMKDM4E
SCHEMBL10730944 0.76 KMT2A (0.67) NOTUM

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 5 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
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 3051/4885HTT 4359/4885ALDH1A1 1426/4885

“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.