SCHEMBL3114736

SCHEMBL3114736

NC(=O)C1CCN(c2cc(C(=O)O)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ NAPEPLD Q6IQ20 6/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PIK3CA P42336 4/20 0.45
▸ MTOR P42345 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIK3CB P42338 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PIK3R1 P27986 1/20 0.42

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
SCHEMBL1271891 0.87 KMO (0.61) KMOHTTLMNAPOLBHSD17B10
SCHEMBL3118342 0.86 KMO (0.52) KMOHTTLMNAPOLBHSD17B10
SCHEMBL3105290 0.85 KMT2A (0.51) KMOHTTLMNAPOLBHSD17B10
SCHEMBL3118572 0.83 SHMT2 (0.41) HTTLMNAPOLBHSD17B10GPR55
SCHEMBL3114998 0.82 KMO (0.56) KMOHTTLMNAPOLBHSD17B10
SCHEMBL6651425 0.81 POLB (0.64) KMOHTTLMNAPOLBHSD17B10
SCHEMBL3116675 0.78 PIK3CA (0.45) HTTLMNAPOLBHSD17B10GPR55
SCHEMBL3116377 0.77 PIK3CA (0.50) KMONAPEPLDKMT2APIK3CAMTOR
SCHEMBL3113412 0.77 KMO (0.50) KMOHTTLMNAPOLBHSD17B10
SCHEMBL3100732 0.76 KMO (0.49) KMOHTTLMNAPOLBHSD17B10

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-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG KMO 1707/4885HTT 2733/4885LMNA 4101/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885HTT 2733/4885LMNA 4101/4885

“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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