SCHEMBL17717092

SCHEMBL17717092

Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.64
▸ TP53 P04637 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ KDM4E B2RXH2 7/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ USP36 Q9P275 1/20 0.50

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
SCHEMBL17717124 0.87 ADCY1 (0.65) LMNATP53MAPTKDM4EL3MBTL1
SCHEMBL17717061 0.87 LMNA (0.64) LMNATP53MAPTKDM4EL3MBTL1
SCHEMBL17717075 0.83 KDM4E (0.69) LMNATP53KDM4ESMN1; SMN2L3MBTL1
SCHEMBL17717070 0.80 LMNA (0.67) LMNATP53MAPTKDM4ESMN1; SMN2
SCHEMBL26665250 0.79 KDM4E (0.77) LMNATP53KDM4ESMN1; SMN2L3MBTL1
SCHEMBL30656644 0.79 KDM4E (0.77) LMNATP53KDM4ESMN1; SMN2L3MBTL1
SCHEMBL17717034 0.79 LMNA (0.65) LMNATP53MAPTKDM4ESMN1; SMN2
SCHEMBL17717032 0.78 ADCY1 (0.69) LMNATP53MAPTKDM4ESMN1; SMN2
SCHEMBL17717104 0.76 ALDH1A1 (0.64) LMNATP53MAPTKDM4ESMN1; SMN2
SCHEMBL17717067 0.76 NPC1 (0.67) LMNATP53MAPTKDM4ESMN1; SMN2

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 1893/4885TP53 2846/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR LMNA 1893/4885TP53 2846/4885MAPT 4669/4885

“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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