SCHEMBL17717090

SCHEMBL17717090

O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.66
▸ KDM4E B2RXH2 9/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ TDP1 Q9NUW8 4/20 0.63
▸ OPRK1 P41145 2/20 0.63
▸ CCR6 P51684 2/20 0.63
▸ ALOX12 P18054 2/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ CXCR5 P32302 1/20 0.63
▸ APLNR P35414 1/20 0.63
▸ USP2 O75604 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ SERPINE1 P05121 1/20 0.55
▸ HTT P42858 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL17717055 0.95 LMNA (0.67) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL17717122 0.82 KDM4E (0.67) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL17717019 0.79 ADCY1 (0.69) LMNAKDM4ESMN1; SMN2TDP1RAB9A
SCHEMBL26665270 0.78 KDM4E (1.00) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL17717085 0.77 TP53 (0.66) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL26665263 0.77 SMN1; SMN2 (0.69) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL26665229 0.77 LMNA (0.56) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL18950040 0.77 LMNA (0.59) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL26665235 0.76 SMN1; SMN2 (0.67) LMNAKDM4ESMN1; SMN2TDP1OPRK1
SCHEMBL774750 0.76 KDM4E (0.68) LMNAKDM4ESMN1; SMN2TDP1OPRK1

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