SCHEMBL4514995

SCHEMBL4514995

O=S(=O)(OCc1ccncc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
MAPT P10636 1/20 0.45
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.41
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.40
CYP19A1 P11511 1/20 0.40
PARL Q9H300 1/20 0.40
PKM P14618 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
SCHEMBL776677 0.87 CA2 (0.61) TDP1CA2CA9CA1TSHR
SCHEMBL11414929 0.87 CA2 (0.55) TDP1CA2CA9CA1MAPT
SCHEMBL7286478 0.85 CA2 (0.59) TDP1CA2CA9CA1TSHR
SCHEMBL17737231 0.83 NPC1 (0.55) LMNASMN1; SMN2TDP1CA2CA9
SCHEMBL28268031 0.81 KMT2A (0.48) LMNATDP1CA2CA9CA1
SCHEMBL4510112 0.81 NAMPT (0.52) LMNATDP1CA2CA9CA1
SCHEMBL776873 0.79 CA2 (0.47) CA2CA9CA1PARLPKM
SCHEMBL20428070 0.77 TSHR (0.55) LMNASMN1; SMN2CA2CA9CA1
SCHEMBL7183273 0.76 CA1 (0.53) LMNACA2CA9CA1TSHR
SCHEMBL27772414 0.76 HTT (0.51) LMNASMN1; SMN2TDP1MAPTPOLB

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
CN-115403456-A Method for synthesizing Edwardsienta intermediate 3-hydroxy-4-methoxyphenylpropanal 成都大学 2022-11-29 CN disclosed
CN-113354577-B Monocarbonyl curcuminoid compound and preparation method and application thereof 西南医科大学附属中医医院 2022-08-26 CN disclosed
US-7612097-B2 Method for producing bactericidal pyridine compound and bactericidal pyridine compound TAMA KAGAKU KOGYO CO., LTD. (JP) 2009-11-03 US disclosed
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound Kourai, Hiroki (JP) 2007-05-03 US disclosed
EP-1683787-A1 METHOD FOR PRODUCING BACTERICIDAL PYRIDINE COMPOUND AND BACTERICIDAL PYRIDINE COMPOUND Tama Kagaku Kogyo Co., Ltd. (JP) 2006-07-26 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 (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-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound BLVRB, CBR3, TLR7 LMNA 4717/4885SMN1; SMN2 4476/4885TDP1 4728/4885

“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.