SCHEMBL3460044

SCHEMBL3460044

NC(=O)c1ccccc1Cc1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GRM2 Q14416 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXA2R P21731 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL3460903 0.85 MAPK14 (0.51) HTR2AMAPK14AGTR1
SCHEMBL3461564 0.82 MAPK8 (0.49) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL3461758 0.82 CD38 (0.46) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL5724328 0.81 HPGD (0.61) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL7134588 0.79 TSHR (0.54) L3MBTL1ALDH1A1KDM4EGAAMEN1
SCHEMBL4604208 0.77 KMT2A (0.48) ALDH1A1MEN1KMT2AGRM2HPGD
SCHEMBL3462730 0.77 MAPK8 (0.50) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3461077 0.76 TSHR (0.51) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3461538 0.76 LMNA (0.50) L3MBTL1ALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3461101 0.76 ADRA1D (0.49) L3MBTL1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 L3MBTL1 2736/4885ALDH1A1 3298/4885KDM4E 1532/4885

“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.