SCHEMBL5810134

SCHEMBL5810134

Cc1cc2cc(N(C(N)=S)C(CC(C)C)C(=O)Nc3ccc(C4=NCCN4C)cc3)ccc2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
PLAU P00749 1/20 0.33
MAPK1 P28482 1/20 0.33
CIT O14578 2/20 0.33
F10 P00742 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL5912960 0.82 KDM4E (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5810148 0.80 CAPN1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5815855 0.74 KDM4E (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5809926 0.71 F10 (0.40) F10KMT2A
SCHEMBL3563906 0.68 F10 (0.40) F10TP53
SCHEMBL5815332 0.67 MEN1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3562609 0.67 F10 (0.40) F10KMT2A
SCHEMBL3564282 0.66 F10 (0.39) F10
SCHEMBL3569851 0.66 F10 (0.39) KDM4EF10TP53
SCHEMBL3557893 0.66 F10 (0.39) F10TSHR

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 AAK1 2897/4885NPC1 1338/4885ALDH1A1 633/4885

“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.