SCHEMBL3572068

SCHEMBL3572068

CN1CCN=C1c1ccc(NC(=O)C(c2ccccc2F)N(C(N)=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
FPR1 P21462 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
S1PR3 Q99500 1/20 0.32
HDAC4 P56524 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
SCHEMBL3564016 0.92 F10 (0.41) F10MEN1KMT2AMAPTHTT
SCHEMBL3565553 0.85 F10 (0.41) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL3566847 0.83 MAPT (0.35) F10MEN1KMT2AMAPTHTT
SCHEMBL3558910 0.83 F10 (0.42) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL3563368 0.83 F10 (0.39) F10MEN1KMT2ASMN1; SMN2
SCHEMBL3568352 0.82 F10 (0.42) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL3571912 0.81 F10 (0.43) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL5815332 0.81 MEN1 (0.39) F10MEN1KMT2AMAPTNPC1
SCHEMBL3572070 0.81 MEN1 (0.42) F10MEN1KMT2AMAPTNPC1
SCHEMBL3571907 0.81 F10 (0.41) F10MEN1KMT2AMAPTALDH1A1

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 6 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
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 F10 9/4885MEN1 2311/4885KMT2A 4014/4885

“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.