SCHEMBL12848888

SCHEMBL12848888

O=C(Nc1ccc2c(n1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ABCB1 P08183 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ROCK1 Q13464 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
SCHEMBL12848953 0.88 ADORA2B (0.44) LMNACYP11B1CYP11B2ALDH1A1GFER
SCHEMBL12848884 0.85 LMNA (0.45) LMNACYP11B1CYP11B2ALDH1A1GFER
SCHEMBL12796674 0.84 CYP11B1 (0.43) CYP11B1CYP11B2ABCB1HDAC6CYP1A2
SCHEMBL12848829 0.79 LMNA (0.49) LMNACYP11B1CYP11B2ALDH1A1GFER
SCHEMBL12796628 0.79 LMNA (0.44) LMNACYP11B1CYP11B2ALDH1A1GFER
SCHEMBL12848715 0.76 ABCB1 (0.40) CYP11B1CYP11B2ABCB1ATMHDAC6
SCHEMBL12796670 0.74 ABCB1 (0.42) CYP11B1CYP11B2ABCB1DYRK1ANPC1
SCHEMBL439102 0.74 ABCB1 (0.49) LMNAALDH1A1ABCB1DYRK1ANPC1
SCHEMBL449982 0.74 IL2 (0.63) LMNAABCB1
SCHEMBL12848831 0.73 DYRK1A (0.46) LMNACYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — 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 (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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 LMNA 4871/4885CYP11B1 458/4885CYP11B2 365/4885

“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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