SCHEMBL4844798

SCHEMBL4844798

COc1ccc(CC(=O)Nc2ccc(C(=O)C=C3NC(C)(C)Cc4ccc(OC)cc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 1/20 0.42
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLK7 P49862 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4844791 1.00 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4842151 0.95 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4842139 0.95 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4842405 0.95 RAB9A (0.51) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4842417 0.95 RAB9A (0.51) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4846070 0.91 NLRP3 (0.48) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4846091 0.91 NLRP3 (0.48) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL4838538 0.90 MTNR1A (0.44) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4838553 0.90 MTNR1A (0.44) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4844875 0.89 MTNR1A (0.45) KMT2AALDH1A1MAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 4642/4885ALDH1A1 2636/4885MEN1 1230/4885

“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.