SCHEMBL14941307

SCHEMBL14941307

O=[N+]([O-])c1ccc(Cl)cc1N1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
POLB P06746 2/20 0.75
ALDH1A1 P00352 8/20 0.73
MAPT P10636 10/20 0.64
MAPK1 P28482 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.60
GAA P10253 2/20 0.55
RECQL P46063 1/20 0.54
HTR6 P50406 2/20 0.53
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5093165 0.86 POLB (1.00) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL3541182 0.84 ALDH1A1 (1.00) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL6663094 0.83 MAPT (0.66) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL24203639 0.83 ALDH1A1 (0.76) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL3949905 0.82 LMNA (0.75) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL7800525 0.82 MAPT (0.64) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL3546064 0.82 LMNA (0.75) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL5552187 0.82 MAPT (0.64) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL14940749 0.82 MAPT (0.64) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL9581594 0.81 MAPT (0.61) LMNAPOLBALDH1A1MAPTMAPK1

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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 LMNA 4628/4885POLB 4595/4885ALDH1A1 2797/4885

“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.