SCHEMBL4100012

SCHEMBL4100012

O=C(O)c1nc(C(F)(F)F)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PPP1CA P62136 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 6/20 0.42
NPY5R Q15761 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
SCHEMBL4093594 0.88 KDM4E (0.48) KMT2AKDM4EALDH1A1PPP1CASMN1; SMN2
SCHEMBL21816430 0.86 SMN1; SMN2 (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL10730944 0.81 KMT2A (0.67) KMT2APOLBNPY5R
SCHEMBL13901652 0.80 RIPK1 (0.47) KDM4EALDH1A1MAPTPOLBTRPV1
SCHEMBL20320330 0.79 SMN1; SMN2 (0.51) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15362663 0.79 HTT (0.64) KMT2AKDM4EALDH1A1PPP1CASMN1; SMN2
SCHEMBL5584120 0.74 KLKB1 (0.69) KMT2AKDM4EPKMMEN1POLB
SCHEMBL4017916 0.74 SMN1; SMN2 (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL31522202 0.73 TRPV1 (0.55) TRPV1
SCHEMBL31175294 0.72 KMT2A (0.73) KMT2AHTTPOLBTDP1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 KMT2A 3833/4885KDM4E 4055/4885ALDH1A1 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.