SCHEMBL4017916

SCHEMBL4017916

O=C(O)c1nc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
RPA1 P27694 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL10733446 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1GRNSORT1
SCHEMBL4093594 0.87 KDM4E (0.48) SMN1; SMN2KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL21816430 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AALDH1A1GRNSORT1
SCHEMBL4012093 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AALDH1A1GRNSORT1
SCHEMBL10730944 0.82 KMT2A (0.67) KMT2A
SCHEMBL4013777 0.81 RPA1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1KDM4ERPA1
SCHEMBL4009443 0.81 ADORA2A (0.62) KMT2AALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL4010350 0.80 MAPT (0.49) KMT2AALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL9300374 0.76 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AALDH1A1GRNSORT1
SCHEMBL6029647 0.75 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AALDH1A1TDP1KDM4E

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 SMN1; SMN2 3501/4885KMT2A 3833/4885ALDH1A1 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.