SCHEMBL4552573

SCHEMBL4552573

CCCCCC1Cc2ccccc2C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCD Q05655 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
METAP1 P53582 1/20 0.37
PARP1 P09874 1/20 0.37
PTPN1 P18031 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
SCHEMBL10050308 0.95 TSHR (0.55) TSHRALDH1A1MEN1KMT2APRKCD
SCHEMBL8966129 0.83 TSHR (0.62) TSHRNPSR1ACHECA12CA9
SCHEMBL19987645 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APRKCDL3MBTL1
SCHEMBL1502374 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APRKCDL3MBTL1
SCHEMBL23010557 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APRKCDL3MBTL1
SCHEMBL28923894 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APRKCDL3MBTL1
SCHEMBL3926777 0.76 TSHR (0.57) TSHRNPSR1ACHECA12CA9
SCHEMBL3921663 0.76 TSHR (0.57) TSHRPRKCDNPSR1ACHECA12
SCHEMBL5037320 0.76 TSHR (0.57) TSHRNPSR1ACHECA12CA9
SCHEMBL7099999 0.76 TSHR (0.57) TSHRNPSR1ACHECA12CA9

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-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 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 (2 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 TSHR 1852/4885ALDH1A1 483/4885MEN1 3044/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 TSHR 1077/4885ALDH1A1 1961/4885MEN1 2842/4885

“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.