SCHEMBL690288

SCHEMBL690288

COc1c([N+](=O)[O-])cc(CC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
TPMT P51580 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL3681751 0.79 GPR35 (0.55) FBP1MEN1KMT2AALDH1A1TDP1
SCHEMBL8298462 0.79 ALDH1A1 (0.53) TPMTMEN1KMT2AALDH1A1ALOX15
SCHEMBL689130 0.77 TPMT (0.46) TPMTMEN1KMT2AALDH1A1POLB
SCHEMBL14600852 0.76 CYP19A1 (0.48) FBP1MEN1KMT2AALDH1A1POLB
SCHEMBL690773 0.75 TDP1 (0.45) TPMTMEN1KMT2AALDH1A1POLB
SCHEMBL9657631 0.74 MAPT (0.56) TPMTMEN1KMT2AALDH1A1TDP1
SCHEMBL225343 0.74 ALDH1A1 (0.50) TPMTMEN1KMT2AALDH1A1POLB
SCHEMBL4653538 0.74 GPR35 (0.57) TPMTMEN1KMT2AALDH1A1TDP1
SCHEMBL4036411 0.73 HSP90AB1 (0.50) TPMTMEN1KMT2AALDH1A1TDP1
SCHEMBL13000171 0.72 TUBB4A (0.47) TPMTALDH1A1TDP1ALOX15CYP3A4

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-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 FBP1 3032/4885TPMT 2049/4885MEN1 4674/4885

“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.