Sugi Predict

Sugi Predict / Compounds / SCHEMBL2466503

SCHEMBL2466503

SCHEMBL2466503

CC(C)(C)NC(=O)Cn1c(C2CCCC2)nc2ccc(N3CCCNCC3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 2/20 0.42
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CDK4 P11802 4/20 0.37
▸ CCND1 P24385 4/20 0.37
▸ CCND2 P30279 3/20 0.37
▸ CCND3 P30281 3/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL12334743 0.89 AVPR1B (0.42) AVPR1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2462426 0.84 AVPR1B (0.60) AVPR1BHDAC6
SCHEMBL8204120 0.80 AVPR1B (0.50) AVPR1BENPP2IDO1TDO2IDO2
SCHEMBL2463572 0.80 AVPR1B (0.54) AVPR1BIDO1TDO2IDO2
SCHEMBL2458622 0.80 AVPR1B (0.54) AVPR1B
SCHEMBL2458723 0.79 AVPR1B (0.49) AVPR1BENPP2IDO1TDO2IDO2
SCHEMBL2463527 0.78 IDO1 (0.38) KDM4EMAPTCDK4CCND1CCND2
SCHEMBL3450827 0.78 AVPR1B (0.51) AVPR1BKDM4EMAPTIDO1TDO2
SCHEMBL2462438 0.76 AVPR1B (0.44) AVPR1BENPP2
SCHEMBL6888180 0.74 AVPR1A (0.43) AVPR1BNPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 — — EP disclosed
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 — — EP disclosed
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-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
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 AVPR1B 839/4885NPC1 1606/4885RAB9A 1018/4885

“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.