SCHEMBL3597003

SCHEMBL3597003

CC(=O)N(N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KIF11 P52732 3/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
EPHX2 P34913 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL29624259 0.82 CES2 (0.47) CES2CES1KIF11EPHX2SRD5A2
SCHEMBL1978108 0.82 CES2 (0.47) CES2CES1KIF11NR4A1NR4A2
SCHEMBL28191917 0.80 KIF11 (0.41) CES2CES1KIF11EPHX2ALDH1A1
SCHEMBL14438022 0.78 SMN1; SMN2 (0.71) SMN1; SMN2CES2CES1KIF11NR4A1
SCHEMBL30545011 0.78 CES2 (0.42) CES2CES1KIF11EPHX2SRD5A2
SCHEMBL754646 0.78 TSHR (0.45) CES2CES1ALDH1A1
SCHEMBL272401 0.78 KIF11 (0.40) CES2CES1KIF11EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL12818175 0.78 CES2 (0.46) SMN1; SMN2CES2SRD5A2ALDH1A1HDAC6
SCHEMBL4873036 0.77 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1KIF11NR4A1
SCHEMBL28576859 0.77 KIF11 (0.42) CES2CES1KIF11EPHX2SRD5A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894326-B 2, 3-Hydrogen substituted aminoindole derivative, preparation method and application thereof 佛山大学 2025-02-11 CN disclosed
CN-115894326-A 2,3-hydrogen substituted aminoindole derivative, preparation method and application thereof 佛山科学技术学院 2023-04-04 CN disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 SMN1; SMN2 4777/4885CES2 4699/4885CES1 1648/4885

“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.