SCHEMBL4930619

SCHEMBL4930619

CN1C(=O)COCC1Cc1ccc(Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
AKR1B1 P15121 3/20 0.50
CISD1 Q9NZ45 1/20 0.47
PIM1 P11309 5/20 0.46
PIM2 Q9P1W9 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
IGF1R P08069 1/20 0.46
PTPN1 P18031 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43

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
SCHEMBL8251566 1.00 HPGD (0.50) HPGDAKR1B1CISD1PIM1PIM2
SCHEMBL4930624 1.00 HPGD (0.50) HPGDAKR1B1CISD1PIM1PIM2
SCHEMBL8246468 0.92 MMP3 (0.53) NPC1RAB9APTGS2POLBADAMTS5
SCHEMBL4928465 0.92 MMP3 (0.53) NPC1RAB9APTGS2POLBADAMTS5
SCHEMBL4925116 0.90 HPGD (0.45) HPGDAKR1B1CISD1PIM1PIM2
SCHEMBL4925122 0.90 HPGD (0.45) HPGDAKR1B1CISD1PIM1PIM2
SCHEMBL4930628 0.90 HPGD (0.47) HPGD
SCHEMBL8252319 0.90 HPGD (0.47) HPGD
SCHEMBL4930632 0.90 HPGD (0.47) HPGD
SCHEMBL8245272 0.90 HPGD (0.45) HPGDAKR1B1CISD1PIM1PIM2

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-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US claimed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 WO claimed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 HPGD 593/4885AKR1B1 190/4885CISD1 2304/4885

“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.