SCHEMBL790930

SCHEMBL790930

COc1cc([N+](=O)[O-])ccc1-c1cc[c]o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
MCL1 Q07820 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40
GLA P06280 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL3362968 0.81 MAPT (0.62) HTTKMT2AMEN1MAPTMCL1
SCHEMBL27807600 0.78 MAPT (0.55) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL5460224 0.75 TDP1 (0.48) KMT2AMEN1MAPTMCL1ALDH1A1
SCHEMBL4601208 0.75 MAPT (0.57) KMT2AMEN1MAPTMCL1ALDH1A1
SCHEMBL30292051 0.74 IMPDH2 (0.60) HTTKMT2AMEN1MAPTMCL1
SCHEMBL3863160 0.74 IMPDH2 (0.60) HTTKMT2AMEN1MAPTMCL1
SCHEMBL960700 0.74 HTT (0.50) HTTKMT2AMEN1MAPTMCL1
SCHEMBL16063166 0.73 KMT2A (0.51) HTTKMT2AMEN1MAPTMCL1
SCHEMBL8977874 0.72 HTT (0.68) HTTKMT2AMAPTALDH1A1HPGD
SCHEMBL3185913 0.72 HTT (0.58) HTTALDH1A1HPGDTDP1POLB

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
EP-2616459-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2016-05-04 EP disclosed
US-8609700-B2 Pyridine compounds for controlling invertebrate pests I BASF SE (DE) 2013-12-17 US disclosed
EP-2616459-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2013-07-24 EP disclosed
US-20130178502-A1 Pyridine Compounds for Controlling Invertebrate Pests I BASF SE (DE) 2013-07-11 US disclosed
WO-2012034961-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS I BASF SE (DE) 2012-03-22 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-20130178502-A1 Pyridine Compounds for Controlling Invertebrate Pests I GRIN2A, PRXL2A, MT-CO2 HTT 3242/4885KMT2A 571/4885MEN1 4039/4885

“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.