SCHEMBL4844801

SCHEMBL4844801

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)C(C)C)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.43
MTNR1B P49286 3/20 0.42
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4844822 1.00 MAPT (0.44) MAPTKMT2AMTNR1BMEN1ALDH1A1
SCHEMBL4846190 0.93 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4846201 0.93 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4842621 0.91 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4842607 0.91 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4839781 0.91 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4839793 0.91 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4842657 0.90 HSD17B10 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4842645 0.90 HSD17B10 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4835092 0.90 MTNR1B (0.44) MAPTKMT2AMTNR1BMEN1ALDH1A1

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 MAPT 646/4885KMT2A 4642/4885MTNR1B 410/4885

“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.