SCHEMBL17717035

SCHEMBL17717035

O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.65
▸ LMNA P02545 5/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ ALOX15 P16050 2/20 0.65
▸ OPRK1 P41145 2/20 0.65
▸ CCR6 P51684 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ CXCR5 P32302 1/20 0.65
▸ APLNR P35414 1/20 0.65
▸ ALDH1A1 P00352 6/20 0.62
▸ HPGD P15428 5/20 0.62
▸ ADCY1 Q08828 8/20 0.62
▸ ADCY8 P40145 2/20 0.62
▸ KMT2A Q03164 3/20 0.60
▸ USP2 O75604 1/20 0.60
▸ RAB9A P51151 2/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ TP53 P04637 2/20 0.55

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
SCHEMBL18838505 0.93 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL17717062 0.88 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL22589724 0.83 KDM4E (0.61) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL22594340 0.83 KDM4E (0.65) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL22589774 0.80 KDM4E (0.58) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL22589775 0.80 KDM4E (0.58) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL17717030 0.80 KDM4E (0.65) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL17717108 0.80 ADCY1 (0.65) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL26665270 0.79 KDM4E (1.00) KDM4ELMNASMN1; SMN2ALOX15OPRK1
SCHEMBL17717059 0.79 KDM4E (0.75) KDM4ELMNASMN1; SMN2ALOX15CCR6

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 916/4885LMNA 1893/4885SMN1; SMN2 1662/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885LMNA 1893/4885SMN1; SMN2 1662/4885

“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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