SCHEMBL3604190

SCHEMBL3604190

Cc1cc([N+](=O)[O-])c2cn[nH]c2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
NOS1 P29475 2/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.42
NOS3 P29474 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11607974 0.77 TSHR (0.43) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL3614154 0.76 NOS1 (0.53) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL9689065 0.73 MAPT (0.53) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL11606284 0.72 MAPT (0.59) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL8658889 0.71 CYP1A2 (0.55) SMN1; SMN2TDP1CYP1A2MAPTCYP3A4
SCHEMBL27153006 0.70 NOS1 (0.53) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL27933693 0.70 ADORA2A (0.42) SMN1; SMN2TDP1NOS1CYP1A2KDM4E
SCHEMBL27228055 0.70 NOS1 (0.57) SMN1; SMN2NOS1MAPTCYP3A4ALDH1A1
SCHEMBL4400129 0.70 NOS1 (0.57) SMN1; SMN2NOS1KDM4EMAPTCYP3A4
SCHEMBL11497294 0.69 GPR35 (0.53) SMN1; SMN2TDP1CYP1A2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 2603/4885TDP1 1691/4885NOS1 3738/4885
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA SMN1; SMN2 2117/4885TDP1 1554/4885NOS1 683/4885

“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.