SCHEMBL3098529

SCHEMBL3098529

C=C(OCC)c1nc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 4/20 0.32
IGF1R P08069 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 3/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
ALDH1A1 P00352 3/20 0.30
NPSR1 Q6W5P4 2/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
RECQL P46063 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CASP3 P42574 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL3106347 0.75 SMN1; SMN2 (0.35) MAPTPOLBALDH1A1KMT2A
SCHEMBL1123974 0.74 MAPT (0.39) LMNAMAPTPOLBALDH1A1NPSR1
SCHEMBL58060 0.72 PTGS1 (0.42) PTGS1PTGS2LMNAMAPTIGF1R
SCHEMBL21437192 0.70 TXNRD1 (0.45) PTGS1PTGS2MAPTPOLBALDH1A1
SCHEMBL9125919 0.70 MEN1 (0.37) MAPTPOLBALDH1A1KMT2ATDP1
SCHEMBL7077196 0.69 MAPT (0.43) MAPTPOLBALDH1A1NPSR1TDP1
SCHEMBL28566224 0.69 ALDH1A1 (0.39) PTGS1PTGS2MAPTMITFPOLB
SCHEMBL7442010 0.67 KDM4E (0.34) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL3102887 0.67 MAPT (0.40) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL9124844 0.67 MAPT (0.37) LMNAMAPTPOLBALDH1A1KMT2A

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-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR PTGS1 526/4885PTGS2 918/4885LMNA 4373/4885

“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.