SCHEMBL5801604

SCHEMBL5801604

NC(=S)N(c1ccc(Br)cc1)C(C(=O)NC1C=CC(=NN2CCCC2)C=C1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CHRM2 P08172 3/20 0.32
CHRM3 P20309 3/20 0.32
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5803407 0.99 KCNH2 (0.33) KCNH2HRH3CHRM2CHRM3POLB
SCHEMBL5803044 0.91 KMT2A (0.35) POLBUSP2MEN1KMT2A
SCHEMBL5912951 0.89 POLB (0.30) POLB
SCHEMBL5799203 0.88
SCHEMBL5802233 0.84 ALDH1A1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL3563083 0.83 CHRM2 (0.34) CHRM2CHRM3POLBUSP2MEN1
SCHEMBL3566118 0.81 MAPT (0.32)
SCHEMBL3560663 0.80 IDH1 (0.33)
SCHEMBL3567221 0.76 NPSR1 (0.30)
SCHEMBL5803379 0.76 TSHR (0.38) POLBMEN1KMT2AALDH1A1

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 KCNH2 2062/4885HRH3 1959/4885CHRM2 3898/4885

“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.