SCHEMBL5650719

SCHEMBL5650719

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(Cl)cc1)C2)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 1/20 0.36
COMT P21964 3/20 0.36
METAP2 P50579 3/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL4689848 0.94 COMT (0.38) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL12378216 0.94 COMT (0.35) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL12378079 0.93 DHPS (0.39) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL29390607 0.92 KDM4E (0.39) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4652222 0.92 KDM4E (0.39) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4752157 0.92 CTSB (0.40) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4693347 0.91 COMT (0.38) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4750446 0.91 TP53 (0.39) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4693783 0.91 COMT (0.40) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4692403 0.90 COMT (0.39) MAPTKDM4ESMN1; SMN2TDP1L3MBTL1

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-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS MAPT 3536/4885KDM4E 1723/4885SMN1; SMN2 3861/4885

“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.