SCHEMBL4197326

SCHEMBL4197326

NCC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NSD2 O96028 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CDC25B P30305 3/20 0.50
PKM P14618 3/20 0.50
IDO1 P14902 2/20 0.50
CDC25A P30304 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLIN1 O60240 1/20 0.50
NR1I2 O75469 1/20 0.50
USP2 O75604 1/20 0.50
GSR P00390 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
Hydrochloric Acid SCHEMBL4110169 0.98 MEN1 (0.50) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL4196479 0.84 MEN1 (0.49) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL13624709 0.83 PTPN1 (0.61) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL5810776 0.83 PARK7 (0.58) PTPN1MEN1KMT2ANSD2L3MBTL1
Hydrochloric Acid SCHEMBL4120194 0.82 MEN1 (0.47) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL30673380 0.80 S100A4 (0.53) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL128020 0.80 S100A4 (0.53) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL3275939 0.79 PTPN1 (0.52) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL7912021 0.79 PTPN1 (0.52) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL597656 0.79 MEN1 (0.56) PTPN1MEN1KMT2ANSD2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
EP-2010481-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS Fluofarma (FR) 2009-01-07 EP disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 WO disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 WO disclosed
US-6162799-A Pesticidal compounds BTG INTERNATIONAL LIMITED (GB) 2000-12-19 US disclosed
US-6043286-A COMBATTING WHITE FLY OR LEPIDOPTERA PESTS BTG INTERNATIONAL LIMITED (GB) 2000-03-28 US disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
EP-0850239-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1998-07-01 EP disclosed
EP-0802729-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1997002271-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-01-23 WO disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO disclosed
WO-1996021354-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 PTPN1 553/4885MEN1 937/4885KMT2A 3068/4885

“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.