SCHEMBL3566847

SCHEMBL3566847

CN1CCN=C1c1ccc(NC(=O)C(c2cccs2)N(C(N)=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 4/20 0.35
GFER P55789 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3570706 0.92 F10 (0.40) MAPTKDM4ELMNAGFERHTT
SCHEMBL3569479 0.92 MAPT (0.43) MAPTKDM4ELMNAGFERHTT
SCHEMBL3573941 0.89 SMN1; SMN2 (0.34) MAPTKDM4ELMNAGFERHTT
SCHEMBL3572068 0.83 F10 (0.37) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL3563368 0.83 F10 (0.39) SMN1; SMN2MEN1KMT2AF10POLB
SCHEMBL5822982 0.82 MAPT (0.45) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL3566849 0.81 HTT (0.41) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL5815332 0.79 MEN1 (0.39) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL3565553 0.78 F10 (0.41) MAPTKDM4EMEN1KMT2AF10
SCHEMBL3565023 0.77 F10 (0.43) MAPTKDM4EMEN1KMT2AF10

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-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 MAPT 1933/4885KDM4E 2457/4885LMNA 938/4885

“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.