SCHEMBL3815420

SCHEMBL3815420

O=C(O)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
DHODH Q02127 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GFER P55789 1/20 0.44
CYP19A1 P11511 2/20 0.44
EIF4E P06730 4/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL3819669 0.89 KDM4E (0.54) KDM4ETDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3814200 0.83 EIF4E (0.53) DHODHEIF4E
SCHEMBL6786537 0.83 KDM4E (0.61) KDM4ETDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3815028 0.83 KDM4E (0.47) KDM4ETDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3823493 0.82 RAB9A (0.64) KDM4ETDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3823800 0.81 RAB9A (0.59) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3821159 0.80 KDM4E (0.45) KDM4ETDP1NPC1SMN1; SMN2MEN1
SCHEMBL2140447 0.80 KDM4E (0.65) KDM4ETDP1ALDH1A1DHODH
SCHEMBL3816204 0.80 KDM4E (0.49) KDM4ETDP1RAB9ANPC1MEN1
SCHEMBL6781128 0.80 CDC25A (0.49) KDM4ETDP1RAB9ANPC1SMN1; SMN2

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
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 KDM4E 1126/4885TDP1 3025/4885RAB9A 4836/4885

“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.