SCHEMBL1493434

SCHEMBL1493434

CC(C)Nc1cc2ncc([N+](=O)[O-])cn2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.40
BRAF P15056 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
ALKBH5 Q6P6C2 3/20 0.35
LMNA P02545 3/20 0.35
FTO Q9C0B1 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1490944 0.77 MAPT (0.38) ALDH1A1HPGDBRAFGAACYP1A2
SCHEMBL1493408 0.76 BRAF (0.38) ALDH1A1BRAFSMN1; SMN2RAB9ANPC1
SCHEMBL1490692 0.74 MAPT (0.43) CYP1A2MAPTRAB9AMEN1KMT2A
SCHEMBL1490967 0.74 MAPT (0.38) ALDH1A1CYP1A2MAPTSMN1; SMN2RAB9A
SCHEMBL30716729 0.73 ALDH1A1 (0.60) ALDH1A1HPGDGAACYP1A2MAPT
SCHEMBL3018141 0.73 ALDH1A1 (0.60) ALDH1A1HPGDGAACYP1A2MAPT
SCHEMBL1493305 0.72 MAPT (0.41) ALDH1A1BRAFCYP1A2MAPTSMN1; SMN2
SCHEMBL1493319 0.71 MAPT (0.55) ALDH1A1HPGDGAACYP1A2MAPT
SCHEMBL1493336 0.70 ALKBH5 (0.61) MAPTMEN1KMT2AALKBH5FTO
SCHEMBL1493314 0.70 MAPT (0.63) ALDH1A1HPGDGAACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 1505/4885HPGD 2456/4885BRAF 1/4885

“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.