SCHEMBL22728556

SCHEMBL22728556

Cc1ccc(-c2csc(NC(=O)c3ncccn3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MAPT P10636 6/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ POLB P06746 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ ESR2 Q92731 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ HTT P42858 2/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ GSTO1 P78417 1/20 0.61
▸ THRB P10828 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ MPL P40238 1/20 0.57

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
SCHEMBL12248896 0.88 ADORA3 (0.68) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL22728557 0.85 KDM4E (0.62) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL235190 0.83 KDM4E (0.70) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL26884351 0.83 KMT2A (0.60) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL2753872 0.83 LMNA (0.77) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL22728560 0.82 MEN1 (0.62) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL10811295 0.82 GSTO1 (0.72) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL10925697 0.82 GSTO1 (0.72) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL12248876 0.82 PARP1 (0.76) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL22728481 0.82 LMNA (0.64) KDM4ELMNANPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2022-08-23 — — US disclosed
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-17 — — US disclosed
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2020-12-03 — — 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 (3 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-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder TNF, MSR1, GRN KDM4E 4725/4885LMNA 1893/4885NPC1 1571/4885
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN KDM4E 4725/4885LMNA 1893/4885NPC1 1571/4885
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN KDM4E 4725/4885LMNA 1893/4885NPC1 1571/4885

“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.

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