SCHEMBL5814935

SCHEMBL5814935

COc1ccccc1C1CCN(Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.62
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
DRD2 P14416 1/20 0.51
CCR5 P51681 1/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
OPRM1 P35372 1/20 0.47
CHRM4 P08173 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
NPY2R P49146 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL5899197 0.94 MAPK1 (0.62) MAPK1MEN1KMT2ACCR5ATM
SCHEMBL5823977 0.87 MEN1 (0.53) MAPK1MEN1KMT2ADRD2CCR5
SCHEMBL5813989 0.82 ALDH1A1 (0.50) MAPK1MEN1KMT2ADRD2CCR5
SCHEMBL5818308 0.82 MEN1 (0.53) MAPK1MEN1KMT2ACCR5ATM
SCHEMBL5899201 0.79 MEN1 (0.63) MAPK1MEN1KMT2ADRD2CCR5
SCHEMBL5807466 0.77 MAPK1 (0.62) MAPK1MEN1KMT2ADRD2CCR5
SCHEMBL5899211 0.76 DRD2 (0.57) MEN1KMT2ADRD2MAPTALDH1A1
SCHEMBL8614711 0.74 ALDH1A1 (0.61) KMT2ADRD2MAPTALDH1A1TDP1
SCHEMBL27180783 0.73 KMT2A (0.49) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL5805864 0.73 MEN1 (0.44) MEN1KMT2AATMMAPTCHRM4

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
WO-2006088954-A1 DIHYDROINDOLYL METHANONES AS ALPHA 1A/1D ADRENORECEPTOR MODULATORS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND LOWER URINARY TRACT SYMPTOMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-24 WO disclosed
US-20060183902-A1 Dihydroindolyl methanones as alpha 1a/1d adrenoreceptor modulators for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-17 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-20060183902-A1 Dihydroindolyl methanones as alpha 1a/1d adrenoreceptor modulators for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms ADRA1D, ADRA1A, ADRB1 MAPK1 524/4885MEN1 462/4885KMT2A 3813/4885

“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.