SCHEMBL4842691

SCHEMBL4842691

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)C(F)(F)C(F)(F)Cl)c1)NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HTT P42858 1/20 0.37
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL4842685 1.00 KMT2A (0.41) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4843648 0.91 KMT2A (0.47) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4843658 0.91 KMT2A (0.47) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4846587 0.91 LMNA (0.38) KMT2ANPC1RAB9AMAPTPDK1
SCHEMBL4846591 0.91 LMNA (0.38) KMT2ANPC1RAB9AMAPTPDK1
SCHEMBL4844317 0.89 KMT2A (0.43) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4844296 0.89 KMT2A (0.43) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4843292 0.88 KMT2A (0.41) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4843299 0.88 KMT2A (0.41) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4839226 0.87 TSHR (0.45) KMT2ANPC1RAB9AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KMT2A 4642/4885NPC1 985/4885RAB9A 2220/4885

“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.