SCHEMBL3987381

SCHEMBL3987381

CCCNC(=O)c1[nH]c2ccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
CNR1 P21554 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3993561 0.87 MAPT (0.48) ALDH1A1MAPTGAAKDM4ECNR1
SCHEMBL3987383 0.86 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL4522326 0.78 KMT2A (0.68) ALDH1A1MAPTGAAKDM4ECNR1
SCHEMBL4531061 0.73 MEN1 (0.47) ALDH1A1MAPTGAAKDM4ECNR1
SCHEMBL22632488 0.73 MEN1 (0.49) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL3993254 0.72 CNR1 (0.51) ALDH1A1MAPTGAAKDM4ECNR1
SCHEMBL3993557 0.71 EGFR (0.42) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3994123 0.71 ALDH1A1 (0.56) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL4962544 0.70 NAAA (0.53) NPC1RAB9AEGFRPTGS2
SCHEMBL4523898 0.70 MAPT (0.55) ALDH1A1MAPTGAAKDM4ESMN1; SMN2

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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 US disclosed
EP-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA ALDH1A1 1439/4885MAPT 3535/4885GAA 4864/4885

“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.