SCHEMBL29388129

SCHEMBL29388129

COC(=O)Nc1nc2ccc(C(O)c3ccc(F)cc3)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.68
MAPK1 P28482 4/20 0.68
ADORA3 P0DMS8 1/20 0.68
PTGS1 P23219 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
LMNA P02545 8/20 0.57
CYP1A2 P05177 6/20 0.57
HIF1A Q16665 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 3/20 0.54
ABL1 P00519 2/20 0.54
CYP2C9 P11712 2/20 0.54
HTT P42858 2/20 0.54
ABCC4 O15439 1/20 0.54
USP2 O75604 1/20 0.54
TUBB4A P04350 6/20 0.53
TUBB P07437 6/20 0.53
TUBA3C P0DPH7 6/20 0.53
TUBA1B P68363 6/20 0.53

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
SCHEMBL26075190 0.91 KDR (0.58) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL26075187 0.91 KDR (0.58) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL3500745 0.89 LMNA (0.64) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL14643045 0.89 LMNA (0.64) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL30446693 0.82 LMNA (0.55) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL29569607 0.81 KDR (0.71) KDRMAPK1ADORA3PTGS1RXFP1
Flubendazole SCHEMBL6232065 0.81 KDR (1.00) KDRMAPK1ADORA3PTGS1RXFP1
Flubendazole SCHEMBL31704404 0.81 KDR (1.00) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL3500740 0.80 LMNA (0.55) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL14375407 0.79 TEK (0.76) KDRTEKRAF1

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-20230301968-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2023-09-28 US disclosed
EP-3972591-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2022-12-28 EP disclosed
EP-3972591-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE Zephapharm Ltd. (GB) 2022-03-30 EP disclosed
WO-2022034275-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2022-02-17 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-20230301968-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE CYP3A43, CYP1A2, CYP3A5 KDR 4262/4885MAPK1 2619/4885ADORA3 185/4885

“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.