SCHEMBL753688

SCHEMBL753688

O=C(O)c1ncc(Oc2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.54
SRD5A2 P31213 3/20 0.48
AKR1C3 P42330 1/20 0.48
LTA4H P09960 2/20 0.48
TSHR P16473 1/20 0.48
PARP10 Q53GL7 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
HPGDS O60760 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
SCHEMBL16506970 0.79 LPAR1 (0.53) PARP10MEN1KMT2AKCNQ3KCNQ2
SCHEMBL16506568 0.79 LPAR1 (0.56) MEN1KMT2ASMN1; SMN2
SCHEMBL5755276 0.77 P4HTM (0.63) ALKBH1SRD5A2AKR1C3PARP10P4HTM
Diphenylether SCHEMBL1965337 0.75 LTA4H (0.75) SRD5A2AKR1C3LTA4HTSHRPARP10
Diphenylether SCHEMBL360280 0.75 LTA4H (0.75) SRD5A2AKR1C3LTA4HTSHRPARP10
Diphenylether SCHEMBL5606885 0.75 LTA4H (0.75) SRD5A2AKR1C3LTA4HTSHRPARP10
SCHEMBL19808942 0.73 EGLN1 (0.66) ALKBH1SRD5A2AKR1C3LTA4HTSHR
SCHEMBL19408509 0.72 LTA4H (0.55) ALKBH1LTA4HTSHRMEN1KMT2A
SCHEMBL754535 0.72 LTA4H (0.55) ALKBH1LTA4HTSHRNR1H2BAX
SCHEMBL16344897 0.72 LTA4H (0.55) ALKBH1LTA4HTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
CN-1950372-A imidazopyridine compounds BANYU PHARMA CO LTD (JP) 2007-04-18 CN disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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 (3 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 ALKBH1 1514/4885SRD5A2 249/4885AKR1C3 291/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885SRD5A2 239/4885AKR1C3 577/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885SRD5A2 239/4885AKR1C3 577/4885

“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.