SCHEMBL4146606

SCHEMBL4146606

Nc1c(NC(=O)O)ccc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCTP Q9UKL6 2/20 0.37
STARD10 Q9Y365 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
MAPK1 P28482 1/20 0.36
NCOR2 Q9Y618 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
SLC2A1 P11166 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33

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
SCHEMBL4146608 1.00 PCTP (0.37) PCTPSTARD10L3MBTL1NPSR1ALDH1A1
SCHEMBL2833315 0.75 RAB9A (0.38) PCTPSTARD10NPSR1ALDH1A1CYP1A2
SCHEMBL1746371 0.73 L3MBTL1 (0.34) L3MBTL1NPSR1ALDH1A1KMT2AKDM4E
SCHEMBL11302980 0.72 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL1226530 0.69 SMN1; SMN2 (0.54) ALDH1A1HDAC3HDAC1HDAC2MAPK1
SCHEMBL29519193 0.69 SMN1; SMN2 (0.54) ALDH1A1HDAC3HDAC1HDAC2MAPK1
SCHEMBL653241 0.69 HDAC3 (0.68) ALDH1A1HDAC3HDAC1HDAC2MAPK1
SCHEMBL17627325 0.68 KDM4E (0.41) PCTPSTARD10L3MBTL1NPSR1ALDH1A1
SCHEMBL15551470 0.67 HDAC1 (0.55) NPSR1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11300004 0.67 ALDH1A1 (0.53) NPSR1ALDH1A1KMT2AKDM4ELMNA

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-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
EP-1937678-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-02 EP disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 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-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS PCTP 2821/4885STARD10 3447/4885L3MBTL1 1350/4885

“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.