SCHEMBL643631

SCHEMBL643631

O=[N+]([O-])c1ccc2ccc[c]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 3/20 0.39
S100A4 P26447 2/20 0.39
ACHE P22303 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CES1 P23141 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
SCHEMBL645032 0.86 TSHR (0.45) TSHRLMNAMAPTALDH1A1TDP1
SCHEMBL29929890 0.72 LMNA (0.56) TSHRLMNAMAPTMEN1NPC1
SCHEMBL57616 0.72 LMNA (0.56) TSHRLMNAMAPTMEN1NPC1
SCHEMBL10716598 0.72 TDP1 (0.56) TSHRMAPTMEN1RAB9AKMT2A
SCHEMBL16338659 0.71 TSHR (0.45) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL8528988 0.71 TSHR (0.42) TSHRLMNAMAPTMEN1NPC1
SCHEMBL28122579 0.71 TSHR (0.59) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL31677837 0.71 LMNA (0.54) TSHRLMNAMAPTMEN1NPC1
SCHEMBL5167846 0.71 LMNA (0.54) TSHRLMNAMAPTMEN1NPC1
SCHEMBL2760792 0.71 LMNA (0.54) TSHRLMNAMAPTMEN1NPC1

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
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
CN-107311889-B Compound and method for producing same 东京应化工业株式会社 2022-01-14 CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 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 (2 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TSHR 4282/4885LMNA 2775/4885MAPT 3950/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TSHR 4282/4885LMNA 2775/4885MAPT 3950/4885

“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.