SCHEMBL5037571

SCHEMBL5037571

[CH2]C(Cc1ccccc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MMP9 P14780 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
PLAU P00749 1/20 0.47
HPN P05981 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL9724808 0.89 MEN1 (0.53) MAPK1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL9724829 0.86 BACE1 (0.54) MAPK1NPSR1KMT2AMEN1NPC1
SCHEMBL9724978 0.85 KMT2A (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL9724923 0.85 RAB9A (0.50) MAPK1NPSR1KMT2AMEN1NPC1
SCHEMBL9724950 0.84 ALDH1A1 (0.54) MAPK1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL9724968 0.84 KMT2A (0.65) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL18086476 0.83 MAPK1 (0.64) MAPK1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL26503521 0.83 KMT2A (0.76) MAPK1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL9724801 0.82 HPGD (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL29002157 0.82 MAPK1 (0.63) MAPK1NPSR1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 MAPK1 1814/4885NPSR1 466/4885ALDH1A1 1510/4885

“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.