SCHEMBL5803044

SCHEMBL5803044

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 5/20 0.34
CYP2C9 P11712 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
OPRM1 P35372 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
SCHEMBL5801604 0.91 KCNH2 (0.33) KMT2AMEN1POLBUSP2
SCHEMBL5803407 0.90 KCNH2 (0.33) KMT2AMEN1POLBUSP2
SCHEMBL3563083 0.83 CHRM2 (0.34) KMT2AMEN1CYP2C9CYP3A4POLB
SCHEMBL5799203 0.81
SCHEMBL3569297 0.76 CHRM2 (0.31) KMT2A
SCHEMBL3566118 0.76 MAPT (0.32) MAPT
SCHEMBL5803379 0.76 TSHR (0.38) KMT2AMEN1CYP2C9KDM4EHPGD
SCHEMBL3560270 0.75 IDH1 (0.33) MAPT
SCHEMBL3565830 0.75 CHRM2 (0.31) KMT2AMEN1CYP2C9HTTPOLB
SCHEMBL5802233 0.75 ALDH1A1 (0.32) KMT2AMEN1OPRM1

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 3 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
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 KMT2A 3618/4885MEN1 2827/4885CYP2C9 48/4885

“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.