SCHEMBL14265282

SCHEMBL14265282

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc[n+]([O-])cc1)C2)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.33
CTSB P07858 2/20 0.33
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RAB9A P51151 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
NOD2 Q9HC29 1/20 0.33
METAP2 P50579 2/20 0.32
HTT P42858 2/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL12378079 0.91 DHPS (0.39) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL12378216 0.90 COMT (0.35) COMTCTSBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4752157 0.90 CTSB (0.40) COMTCTSBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL5650719 0.89 MAPT (0.38) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL29390607 0.89 KDM4E (0.39) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL4652222 0.89 KDM4E (0.39) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL4689848 0.89 COMT (0.38) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL14573665 0.87 ALDH1A1 (0.41) KDM4ESMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL4750446 0.86 TP53 (0.39) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A
SCHEMBL4693347 0.86 COMT (0.38) COMTKDM4ESMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS COMT 719/4885CTSB 1373/4885KDM4E 1971/4885

“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.