SCHEMBL10077158

SCHEMBL10077158

O=c1n(O)ccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ CTRC Q99895 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRD2 P25440 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
SCHEMBL9877955 0.90 HDAC8 (0.49) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL27478800 0.86 F2 (0.54) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL9876997 0.85 MAPK14 (0.55) KDM4ESMN1; SMN2TP53HDAC6MEN1
SCHEMBL9877285 0.82 KDM4E (0.47) KDM4ESMN1; SMN2TP53HTTALDH1A1
SCHEMBL22252623 0.77 TP53 (0.47) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL8301883 0.77 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL9707256 0.76 PTGS1 (0.38) KDM4EHDAC8HDAC6MEN1KMT2A
SCHEMBL1584773 0.74 HPGD (0.47) KDM4ESMN1; SMN2F2PLGELANE
SCHEMBL14600369 0.73 KMT2A (0.45) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL5800712 0.72 HPGD (0.49) KDM4ESMN1; SMN2TP53CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 — — US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 — — US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 — — US disclosed
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 — — US disclosed
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 — — US disclosed
WO-2012088283-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES BAYLOR COLLEGE OF MEDICINE (US) 2012-06-28 — — WO disclosed
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 — — 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 (2 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR KDM4E 1235/4885SMN1; SMN2 4500/4885TP53 4472/4885
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, MGAM2, BPGM KDM4E 2136/4885SMN1; SMN2 3927/4885TP53 2822/4885

“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.

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