SCHEMBL13160094

SCHEMBL13160094

CC(C)c1cccc(Cc2cnc(C(C)C)o2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.36
▸ CLK1 P49759 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ RXRA P19793 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TYR P14679 1/20 0.32

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
SCHEMBL13183570 0.85 CYP11B1 (0.43) NR3C2CYP11B1CYP11B2MAPTKDM4E
SCHEMBL13160616 0.76 MAPT (0.35) CLK1DYRK1AMAPTRXRAGRIN1
SCHEMBL13392404 0.75 CYP11B1 (0.54) NR3C2CYP11B1CYP11B2RXRATSHR
SCHEMBL823589 0.74 NPSR1 (0.38) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL25725635 0.73 HDAC4 (0.33) CLK1DYRK1AMAPTRXRAGRIN1
SCHEMBL13160096 0.72 SMN1; SMN2 (0.38) CYP11B1CYP11B2MAPTKDM4EHDAC4
SCHEMBL24627336 0.71 RXRA (0.39) CLK1DYRK1AMAPTRXRAGRIN1
SCHEMBL13160085 0.71 MAPT (0.43) CLK1DYRK1ACYP11B1CYP11B2MAPT
SCHEMBL8776483 0.70 CALM1 (0.50) MAPTKDM4EHDAC4HDAC8MDM4
SCHEMBL12794242 0.70 KAT7 (0.39) CLK1DYRK1AMAPTRXRAGRIN1

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-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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 (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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS NR3C2 3377/4885CLK1 3698/4885DYRK1A 4608/4885

“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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