SCHEMBL5988015

SCHEMBL5988015

COC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGER4 P35408 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
SCHEMBL8953331 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL7414257 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL5875056 0.85 KMT2A (0.47) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL2426533 0.85 KDM4E (0.46) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL6491502 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL27797779 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL13705663 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL23924910 0.80 KMT2A (0.50) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL15398667 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL27862571 0.80 TSHR (0.50) SMN1; SMN2KMT2AALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 SMN1; SMN2 3736/4885KMT2A 2109/4885ALDH1A1 710/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 SMN1; SMN2 3777/4885KMT2A 2049/4885ALDH1A1 788/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA SMN1; SMN2 3680/4885KMT2A 1815/4885ALDH1A1 1148/4885

“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.