SCHEMBL4928339

SCHEMBL4928339

O=C1COCC(Cc2ccc(Oc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.53
AKR1B1 P15121 3/20 0.53
PTPN1 P18031 2/20 0.47
CISD1 Q9NZ45 1/20 0.47
PIM1 P11309 4/20 0.46
PIM2 Q9P1W9 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
IGF1R P08069 1/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL4928344 1.00 HPGD (0.53) HPGDAKR1B1PTPN1CISD1PIM1
SCHEMBL8253280 1.00 HPGD (0.53) HPGDAKR1B1PTPN1CISD1PIM1
SCHEMBL4932398 0.92 MMP3 (0.56) NPC1RAB9APOLB
SCHEMBL4932406 0.92 MMP3 (0.56) NPC1RAB9APOLB
SCHEMBL4933200 0.89 HPGD (0.49) HPGD
SCHEMBL4935151 0.89 HPGD (0.47) HPGDAKR1B1PTPN1CISD1PIM1
SCHEMBL4933204 0.89 HPGD (0.49) HPGD
SCHEMBL4935145 0.89 HPGD (0.47) HPGDAKR1B1PTPN1CISD1PIM1
SCHEMBL8252480 0.89 HPGD (0.47) HPGDAKR1B1PTPN1CISD1PIM1
SCHEMBL8252684 0.89 HPGD (0.49) HPGD

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
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 HPGD 593/4885AKR1B1 190/4885PTPN1 3665/4885

“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.