SCHEMBL5801664

SCHEMBL5801664

O=C(NC1=CCC(=NN2CCCC2)C=C1)[C@@H](NC(=S)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.37
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR2 P41597 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RBP4 P02753 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MTTP P55157 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
TACR1 P25103 1/20 0.30
TACR3 P29371 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
SCHEMBL5802230 0.90 ALDH1A1 (0.43) ULK1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5799567 0.89 ULK1 (0.34) ULK1ALDH1A1L3MBTL1CA1CA2
SCHEMBL5816679 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2ACA1
SCHEMBL5801609 0.84 FPR2 (0.42) ULK1ALDH1A1MEN1KMT2ACA1
SCHEMBL5803016 0.84 FPR2 (0.42) ULK1ALDH1A1MEN1KMT2ACA1
SCHEMBL5800502 0.84 FPR2 (0.41) ULK1ALDH1A1MEN1KMT2ACA1
SCHEMBL5803484 0.84 FPR2 (0.41) ULK1ALDH1A1MEN1KMT2ACA1
SCHEMBL5800343 0.83 CA1 (0.33) ULK1CA1CA2
SCHEMBL5803410 0.83 FPR2 (0.42) ULK1ALDH1A1MEN1KMT2ACA1
SCHEMBL5799206 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 ULK1 4198/4885ALDH1A1 633/4885L3MBTL1 2143/4885

“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.