SCHEMBL4797196

SCHEMBL4797196

[C-]#[N+]C(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.44
PKM P14618 1/20 0.44
CNR1 P21554 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.41

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
SCHEMBL29956006 0.89 GAA (0.45) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL1307531 0.83 MAPT (0.46) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL29956135 0.81 UTS2R (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4799859 0.81 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4802706 0.81 RAPGEF4 (0.39) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL992209 0.81 ACHE (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL408195 0.81 NPY2R (0.47) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL29955664 0.79 CA1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL29955322 0.79 MAPT (0.44) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL3271450 0.79 AR (0.56) ALDH1A1NPC1LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR ALDH1A1 2177/4885NPC1 4851/4885LMNA 3041/4885

“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.