SCHEMBL3614154

SCHEMBL3614154

Cc1ccc([N+](=O)[O-])c2cn[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.53
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 4/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
NOS3 P29474 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOS2 P35228 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9689065 0.87 MAPT (0.53) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL11606284 0.86 MAPT (0.59) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL11686320 0.80 NOS1 (0.53) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL3606434 0.80 NOS1 (0.53) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL3604190 0.76 SMN1; SMN2 (0.42) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL6127809 0.76 MAPT (0.48) NOS1MAPTKDM4ECYP1A2HPGD
SCHEMBL11607974 0.74 TSHR (0.43) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL23275822 0.73 NOS1 (0.53) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL2571809 0.73 NOS1 (0.61) NOS1MAPTSMN1; SMN2TSHRCYP3A4
SCHEMBL12282300 0.73 NOS1 (0.53) NOS1MAPTSMN1; SMN2TSHRCYP3A4

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 9 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
CN-1244864-A 2-imidazolinylaminoindazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-02-16 CN disclosed
EP-0944620-A1 2-IMIDAZOLINYLAMINOINDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023609-A1 2-IMIDAZOLINYLAMINOINDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 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 NOS1 3738/4885MAPT 4701/4885SMN1; SMN2 2603/4885

“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.