SCHEMBL22925906

SCHEMBL22925906

Cc1nc(N)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
IKBKB O14920 1/20 0.43
TRPV1 Q8NER1 4/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NR4A2 P43354 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PIM1 P11309 1/20 0.39
CASP3 P42574 2/20 0.38
NOTUM Q6P988 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
SCHEMBL8192595 0.84 LMNA (0.43) KIF11LMNATHRBTRPV1TRPM8
SCHEMBL22925728 0.82 KDM4E (0.48) LMNAIKBKBNR1H4NPC1ALDH1A1
SCHEMBL472556 0.81 MAPT (0.41) KIF11LMNATHRBTRPV1TRPM8
SCHEMBL5318103 0.78 NR4A2 (0.63) NPC1ALDH1A1NR4A2NOTUM
SCHEMBL15578066 0.75 KIF11 (0.40) KIF11NR1H4NPC1ALDH1A1GAA
SCHEMBL472518 0.70 IMPDH2 (0.47) KIF11LMNATHRB
SCHEMBL13679017 0.70 PTPN1 (0.53) KIF11LMNATHRBIKBKBNPC1
SCHEMBL1549538 0.69 KIF11 (0.46) KIF11LMNATHRBHEXAHEXB
SCHEMBL7703168 0.68 KIF11 (0.59) KIF11IKBKBHEXAHEXBMKNK1
SCHEMBL22925912 0.68 NOTUM (0.61) KIF11LMNATHRBCASP3NOTUM

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-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB KIF11 4192/4885LMNA 765/4885THRB 3858/4885

“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.