SCHEMBL22949539

SCHEMBL22949539

c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4S5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 9/20 0.39
LMNA P02545 6/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KLF5 Q13887 1/20 0.39
ALOX15 P16050 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 5/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL22947357 0.95 KDM4E (0.45) KDM4ETDP1SMN1; SMN2LMNARAB9A
SCHEMBL22949661 0.93 KDM4E (0.43) KDM4ETDP1SMN1; SMN2LMNARAB9A
SCHEMBL22947525 0.89 ADORA3 (0.39) KDM4ETDP1SMN1; SMN2LMNATP53
SCHEMBL22947671 0.87 ADORA3 (0.38) KDM4ETDP1SMN1; SMN2LMNATP53
SCHEMBL22947650 0.85 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2LMNARAB9AHPGD
SCHEMBL22947637 0.85 ADORA3 (0.38) KDM4ETDP1SMN1; SMN2LMNATP53
SCHEMBL22949634 0.85 ADORA3 (0.38) KDM4ETDP1SMN1; SMN2LMNATP53
SCHEMBL22947384 0.85 ADORA2A (0.40) KDM4ETDP1SMN1; SMN2LMNATP53
SCHEMBL22947521 0.84 KDM4E (0.44) KDM4ETDP1SMN1; SMN2LMNARAB9A
SCHEMBL22948448 0.83 TSHR (0.37) KDM4ETDP1SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 KDM4E 3379/4885TDP1 4017/4885SMN1; SMN2 3681/4885

“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.