SCHEMBL4510112

SCHEMBL4510112

O=S(=O)(OCc1cccnc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.52
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
NAPRT Q6XQN6 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LTA4H P09960 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL28268031 0.90 KMT2A (0.48) NAMPTKMT2AMAPK1RAB9AKDM4E
SCHEMBL8075924 0.86 PKM (0.49) NAMPTKMT2AKDM4ELMNACYP2C9
SCHEMBL30612269 0.86 PKM (0.49) NAMPTKMT2AKDM4ELMNACYP2C9
SCHEMBL28017528 0.84 NAMPT (0.48) NAMPTKMT2AMAPK1RAB9AKDM4E
SCHEMBL776677 0.82 CA2 (0.61) TDP1CA1CA2CA9
SCHEMBL4514995 0.81 LMNA (0.51) NAMPTKMT2ATDP1LMNACYP2C9
SCHEMBL7286478 0.81 CA2 (0.59) TDP1CA1CA2CA9
SCHEMBL11414929 0.79 CA2 (0.55) KMT2AKDM4ETDP1CA1CA2
SCHEMBL28923713 0.78 NAPRT (0.49) NAMPTKMT2ANAPRTTDP1LMNA
SCHEMBL556847 0.78 CHRNB2 (0.46) NAMPTNAPRTTDP1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NAMPT 1935/4885KMT2A 4004/4885MAPK1 291/4885

“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.