SCHEMBL5803384

SCHEMBL5803384

NC(C(=O)NC1=CCC(=NN2CCCC2)C=C1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KCNQ2 O43526 2/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL3556133 0.77 FPR2 (0.40) LMNAMAPTUSP2ESR1NR4A1
SCHEMBL5801609 0.77 FPR2 (0.42) MAPTUSP2ESR1NR4A1KMT2A
SCHEMBL5801653 0.77 CA1 (0.40) LMNAMAPTUSP2ESR1NR4A1
SCHEMBL5800502 0.76 FPR2 (0.41) MAPTUSP2ESR1NR4A1KMT2A
SCHEMBL3563086 0.75 FPR2 (0.40) MAPTALDH1A1
SCHEMBL5803410 0.74 FPR2 (0.42) MAPTUSP2ESR1NR4A1KMT2A
SCHEMBL5802230 0.73 ALDH1A1 (0.43) LMNAMAPTKMT2AGAAALDH1A1
SCHEMBL5816679 0.73 ALDH1A1 (0.36) LMNAMAPTKMT2ANPSR1ALDH1A1
SCHEMBL3560764 0.70 SMN1; SMN2 (0.36) LMNAMAPTKMT2ANPSR1GAA
SCHEMBL5803379 0.70 TSHR (0.38) CCNA2CDK2CCNA1LMNAMAPT

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 2 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 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 GLS 1276/4885CCNA2 3198/4885CDK2 1435/4885

“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.