SCHEMBL5801609

SCHEMBL5801609

O=C(NC1=CCC(=NN2CCCC2)C=C1)C(NC(=S)Nc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CNR1 P21554 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
S1PR3 Q99500 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.36
RAB9A P51151 2/20 0.35
ULK1 O75385 1/20 0.35
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5803016 1.00 FPR2 (0.42) FPR2CA1CA2CNR1KMT2A
SCHEMBL5803484 0.99 FPR2 (0.41) FPR2CA1CA2CNR1KMT2A
SCHEMBL5800502 0.99 FPR2 (0.41) FPR2CA1CA2CNR1KMT2A
SCHEMBL5803410 0.98 FPR2 (0.42) FPR2CA1CA2CNR1KMT2A
SCHEMBL5801653 0.91 CA1 (0.40) CA1CA2CNR1KMT2AMEN1
SCHEMBL5803046 0.91 ULK1 (0.42) CA1CA2KMT2AMEN1MAPT
SCHEMBL5800379 0.89 MEN1 (0.38) CA1CA2KMT2AMEN1MAPT
SCHEMBL5912953 0.89 CA1 (0.39) CA1CA2KMT2AMEN1MAPT
SCHEMBL5799206 0.88 ALDH1A1 (0.40) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL5800343 0.88 CA1 (0.33) FPR2CA1CA2ULK1

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-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
US-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063293-A2 THIOUREAS 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-20060160790-A1 Thioureas as factor Xa inhibitors TFPI, TFPI2, F12 FPR2 2522/4885CA1 372/4885CA2 856/4885

“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.