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SCHEMBL2396863

SCHEMBL2396863

CC(C)c1ccc(CC(NC(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ TP53 P04637 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ HSD17B13 Q7Z5P4 3/20 0.33
▸ F9 P00740 1/20 0.33
▸ NR3C1 P04150 1/20 0.33

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
SCHEMBL2400881 0.84 HSD17B13 (0.42) MAPTTP53POLBCTSLITGB1
SCHEMBL2217245 0.81 HSD17B13 (0.44) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2214186 0.81 SMN1; SMN2 (0.46) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2397135 0.76 TP53 (0.46) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2214728 0.75 CNR1 (0.45) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2214594 0.73 NOTUM (0.39) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2398428 0.73 NOTUM (0.39) MAPTTP53POLBNOTUM
SCHEMBL2217461 0.72 MEN1 (0.48) NOTUM
SCHEMBL2365024 0.72 MAPT (0.51) MAPTTP53POLBNOTUMSMN1; SMN2
SCHEMBL2186910 0.72 NOTUM (0.43) MAPTTP53POLBNOTUMSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — 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 (2 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MAPT 4877/4885TP53 721/4885POLB 2710/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MAPT 4644/4885TP53 919/4885POLB 3106/4885

“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.