SCHEMBL5577978

SCHEMBL5577978

O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CACNA1G O43497 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
APP P05067 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
TSHR P16473 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5578124 0.83 ALDH1A1 (0.64) ALDH1A1POLBMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL5578070 0.82 ALDH1A1 (0.66) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6802404 0.77 SMN1; SMN2 (0.56) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL5754775 0.76 ALDH1A1 (0.71) ALDH1A1POLBMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL5578135 0.73 CACNA1G (0.59) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL13576071 0.73 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL719483 0.73 ESR1 (0.52)
SCHEMBL8562609 0.71 ESR1 (0.44) HTT
SCHEMBL7848854 0.70 HDAC3 (0.57) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8791519 0.70 ACHE (0.60) ALDH1A1MAPTKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 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 (3 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885POLB 1413/4885MAPT 2628/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885POLB 1413/4885MAPT 2628/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ALDH1A1 2561/4885POLB 4801/4885MAPT 4394/4885

“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.