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SCHEMBL2398428

SCHEMBL2398428

CCN(Cc1ccc(C(C)C)cc1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ HSP90AA1 P07900 3/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ POLB P06746 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
SCHEMBL2218692 0.92 HDAC1 (0.42) NOTUMHSP90AA1TP53MAPTHDAC1
SCHEMBL2397119 0.89 NOTUM (0.36) NOTUMHSP90AA1HSP90AB1TP53MAPT
SCHEMBL2214594 0.88 NOTUM (0.39) NOTUMTP53MAPTHDAC6BCL9
SCHEMBL2215745 0.88 NOTUM (0.48) NOTUMHSP90AA1
SCHEMBL2400496 0.87 HSP90AA1 (0.39) NOTUMHSP90AA1HSP90AB1LMNAGFER
SCHEMBL2186910 0.86 NOTUM (0.43) NOTUMTP53MAPTPOLB
SCHEMBL2396029 0.84 LPAR1 (0.48) NOTUMMAPTLPAR1LPAR5TRPM8
SCHEMBL2402058 0.80 HSD17B13 (0.40) NOTUMMAPTTRPM8
SCHEMBL2399003 0.80 CYP2C19 (0.48) NOTUMTP53MAPTPOLB
SCHEMBL2214597 0.79 NR1H4 (0.39) NOTUMTP53MAPTPOLB

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 NOTUM 3691/4885HSP90AA1 1939/4885HSP90AB1 1550/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885HSP90AA1 1519/4885HSP90AB1 1100/4885

“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.