SCHEMBL6099592

SCHEMBL6099592

O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TDP1 Q9NUW8 2/20 0.73
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
POLB P06746 2/20 0.63
GAA P10253 1/20 0.63
RAB9A P51151 1/20 0.56
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
ATM Q13315 1/20 0.50
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SRD5A1 P18405 1/20 0.36

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
SCHEMBL6099600 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6099597 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL2188279 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL9025236 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL2188282 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL2188278 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL7898746 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6098746 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL7898749 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL8533561 0.83 TDP1 (0.73) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 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 (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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B ALDH1A1 136/4885SMN1; SMN2 4121/4885TDP1 3814/4885

“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.