SCHEMBL4838577

SCHEMBL4838577

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3cccs3)cc1)NC(C)(C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
LMNA P02545 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPSR1 Q6W5P4 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4838560 1.00 MAPT (0.53) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4845605 0.92 RAB9A (0.52) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4845624 0.92 RAB9A (0.52) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4839102 0.88 RAB9A (0.49) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4839109 0.88 RAB9A (0.49) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4840832 0.87 NPC1 (0.49) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4840822 0.87 NPC1 (0.49) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4837792 0.86 KMT2A (0.51) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4837807 0.86 KMT2A (0.51) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL4838937 0.86 KMT2A (0.49) MAPTLMNAALDH1A1KDM4ERAB9A

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 646/4885LMNA 3014/4885ALDH1A1 2636/4885

“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.