SCHEMBL8887009

SCHEMBL8887009

CC(=O)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP7 Q93009 3/20 0.43
USP47 Q96K76 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL16955218 0.87 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL19213270 0.85 CES2 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL206197 0.85 TSHR (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11002006 0.85 LMNA (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10824597 0.84 TSHR (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4833152 0.84 ALDH1A1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31441001 0.84 ALDH1A1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1625522 0.82 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4734285 0.81 TSHR (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2211359 0.81 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263165-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2025-04-01 US disclosed
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 US disclosed
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 US disclosed
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 US disclosed
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-20210196713-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-01 US disclosed
US-20210196713-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-01 US disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 US disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 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 (4 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-20210196713-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES VIM, BRCA1, CDH1 KMT2A 1251/4885MEN1 1951/4885NPC1 4007/4885
US-12263165-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types VIM, CDH1, BRCA1 KMT2A 1156/4885MEN1 1774/4885NPC1 3998/4885
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES VIM, CDH1, BRCA1 KMT2A 1156/4885MEN1 1774/4885NPC1 3998/4885
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types VIM, BRCA1, CDH1 KMT2A 1251/4885MEN1 1951/4885NPC1 4007/4885

“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.