SCHEMBL8212374

SCHEMBL8212374

CCC(Br)C(=O)NCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
DPP7 Q9UHL4 2/20 0.46
RRM1 P23921 1/20 0.45
PAOX Q6QHF9 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
GRIA1 P42261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
GRIN1 Q05586 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
Trifluoroacetic Acid SCHEMBL2459830 0.89 S1PR1 (0.42) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL28559240 0.81 EPHX1 (0.55) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL28580193 0.81 EPHX1 (0.55) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12619029 0.78 GNAI3 (0.47) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12333759 0.77 GNAI3 (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL27787604 0.76 USP2 (0.45) DPP7USP2TSHRALDH1A1ALDH1A2
SCHEMBL823169 0.75 CYP2D6 (0.50) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL1772263 0.74
SCHEMBL27600540 0.74 PAOX (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL9497692 0.74 KMT2A (0.53) GNAI3GNAO1GNAI1DPP7RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA GNAI3 416/4885GNAO1 1861/4885GNAI1 461/4885

“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.