Sugi Predict

Sugi Predict / Compounds / SCHEMBL3593049

SCHEMBL3593049

SCHEMBL3593049

Cc1c([N+](=O)[O-])ccc2cn(C(=O)OC(C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSH P09668 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MITF O75030 1/20 0.32
▸ S1PR4 O95977 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
SCHEMBL3603743 0.81 MEN1 (0.42) LMNAALDH1A1MAPTTSHRKDM4E
SCHEMBL1559738 0.78 ALDH1A1 (0.39) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL12725156 0.77 NR1H2 (0.39) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6581323 0.76 HTT (0.39) LMNAALDH1A1MAPTTSHRKDM4E
SCHEMBL17856224 0.76 CYP2C9 (0.39) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL27228514 0.74 MAPT (0.50) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL6142633 0.74 ALDH1A1 (0.38) LMNAALDH1A1MAPTTSHRKDM4E
SCHEMBL25339042 0.73 ALDH1A1 (0.39) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL29507029 0.73 ALDH1A1 (0.39) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL31106028 0.72 ALDH1A1 (0.39) LMNAALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 — — US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 — — US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 — — US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 — — EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 — — WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 — — 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LMNA 2021/4885ALDH1A1 985/4885MAPT 4701/4885

“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.