SCHEMBL12607606

SCHEMBL12607606

COc1cc(C2=NOC(c3cc(CO)c(CO)c(CO)c3)C2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.54
IARS1 P41252 1/20 0.46
MARS1 P56192 1/20 0.44
MAOA P21397 7/20 0.43
MAOB P27338 4/20 0.43
F10 P00742 1/20 0.42
PTPN1 P18031 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13643394 0.91 IARS1 (0.46) MIFIARS1MARS1PTPN1MEN1
SCHEMBL12607618 0.89 MIF (0.47) MIFIARS1MAOBPTPN1
SCHEMBL12607573 0.89 MIF (0.44) MIFMAOBPTPN1MAPTMAPK1
SCHEMBL13643396 0.88 PTPN1 (0.40) MIFPTPN1MAPTMAPK1
SCHEMBL13643400 0.83 PTPN1 (0.40) MIFMAOBPTPN1
SCHEMBL1015152 0.83 MIF (0.57) MIFIARS1MARS1MAOAMAOB
SCHEMBL13643398 0.83 PTPN1 (0.43) MIFIARS1MARS1MAOBPTPN1
SCHEMBL13643389 0.78 PPARG (0.43) MAOBPTPN1
SCHEMBL13660015 0.76 MIF (0.51) MIFPTPN1MAPT
SCHEMBL5689279 0.74 TUBB4A (0.49) MIFIARS1MARS1PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372831-B2 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-12 US disclosed
US-20110118237-A1 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-05-19 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-20110118237-A1 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof GABRA5, GABRA1, CYP3A7 MIF 3861/4885IARS1 638/4885MARS1 3704/4885

“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.