SCHEMBL16151007

SCHEMBL16151007

Nc1ccc(-n2ccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE2A O00408 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46

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
SCHEMBL1067164 0.88 LMNA (0.52) MAPTLMNATDP1PDE2APDE3B
SCHEMBL27807398 0.86 GRIA1 (0.49) MAPTLMNAMEN1KMT2ACYP3A4
SCHEMBL10902263 0.82 MAPT (0.47) MAPTALDH1A1CYP3A4PDE3BPDE3A
SCHEMBL6964006 0.82 IDO1 (0.53) MAPTLMNAGRIA1GRIA2GRIA3
SCHEMBL5036730 0.81 CA1 (0.43) MAPTLMNAPDE2APDE3BPDE3A
SCHEMBL3391496 0.80 MAPT (0.55) MAPTLMNATDP1MEN1POLB
SCHEMBL17630137 0.79 GRIA1 (0.46) MAPTLMNAMEN1KMT2ACYP3A4
SCHEMBL20536197 0.79 CYP19A1 (0.52) MAPTLMNACYP3A4GRIA1GRIA2
SCHEMBL1839319 0.79 HPGD (0.51) MAPTCYP3A4PDE3BPDE3AGRIA1
SCHEMBL29486349 0.79 ENPP2 (0.50) MAPTLMNACYP3A4GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981533-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2017-12-06 EP disclosed
EP-2981533-A1 PROTEIN KINASE INHIBITORS Orion Corporation (FI) 2016-02-10 EP disclosed
US-20160031855-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2016-02-04 US disclosed
WO-2014162039-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2014-10-09 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-20160031855-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR2, FGFR3 MAPT 3430/4885LMNA 3680/4885TDP1 2417/4885

“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.