SCHEMBL17717119

SCHEMBL17717119

O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ LMNA P02545 7/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ KMT2A Q03164 4/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ CCR6 P51684 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CXCR5 P32302 1/20 0.50
▸ APLNR P35414 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ LCLAT1 Q6UWP7 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ADCY1 Q08828 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ADCY8 P40145 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL17717118 0.82 ADCY1 (0.62) KDM4ESMN1; SMN2LMNATDP1KMT2A
SCHEMBL26665250 0.81 KDM4E (0.77) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL30656644 0.81 KDM4E (0.77) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL38664105 0.78 ACHE (0.60) KDM4ESMN1; SMN2LMNATDP1POLB
SCHEMBL17717014 0.77 NPC1 (0.64) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL17717075 0.76 KDM4E (0.69) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL17717039 0.74 KDM4E (0.71) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL17717092 0.73 LMNA (0.64) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL13571028 0.73 KDM4E (0.84) KDM4ESMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL30656654 0.73 KDM4E (0.67) KDM4ESMN1; SMN2LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — 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 (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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885SMN1; SMN2 1662/4885LMNA 1893/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885SMN1; SMN2 1662/4885LMNA 1893/4885

“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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