SCHEMBL18031111

SCHEMBL18031111

CCCCCCCc1cn(-c2ccc(O)cc2)nn1

nearest known ligand 0.97

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.97
DDX3X O00571 6/20 0.55
CD74 P04233 1/20 0.54
P2RX7 Q99572 1/20 0.53
CYP19A1 P11511 3/20 0.51
BCHE P06276 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL15923549 1.00 MIF (0.97) MIFDDX3XCD74P2RX7CYP19A1
SCHEMBL18031109 0.98 MIF (1.00) MIFDDX3XCD74P2RX7CYP19A1
SCHEMBL16271203 0.85 MIF (0.71) MIFDDX3XCYP19A1
SCHEMBL15923943 0.85 MIF (0.71) MIFDDX3XP2RX7CYP19A1BCHE
Bromide SCHEMBL1890839 0.84 MIF (0.69) MIFDDX3XCYP19A1
Bromide SCHEMBL1880796 0.84 MIF (0.69) MIFDDX3XCYP19A1
Bromide SCHEMBL1883955 0.84 MIF (0.69) MIFDDX3XCYP19A1
Bromide SCHEMBL1880908 0.84 MIF (0.69) MIFDDX3XCYP19A1
SCHEMBL13527245 0.83 MIF (0.69) MIFDDX3XP2RX7CYP19A1BCHE
SCHEMBL1313081 0.83 MIF (0.68) MIFDDX3XCYP19A1BCHESPHK1

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-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US disclosed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 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-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF XDH, DHFR, G6PD MIF 1471/4885DDX3X 703/4885CD74 1565/4885

“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.