SCHEMBL17717032

SCHEMBL17717032

Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 13/20 0.69
▸ ADCY8 P40145 12/20 0.69
▸ MAPT P10636 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ TP53 P04637 2/20 0.68
▸ MEN1 O00255 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL17717038 0.86 ADCY1 (0.87) ADCY1ADCY8MAPTLMNAMEN1
SCHEMBL20597882 0.81 ADCY1 (1.00) ADCY1ADCY8MAPTLMNAMEN1
SCHEMBL17716957 0.81 ADCY1 (0.83) ADCY1ADCY8MAPTLMNAMEN1
SCHEMBL17717070 0.80 LMNA (0.67) ADCY1ADCY8MAPTLMNATP53
SCHEMBL17717019 0.79 ADCY1 (0.69) ADCY1ADCY8MAPTLMNAMEN1
SCHEMBL17717092 0.78 LMNA (0.64) MAPTLMNATP53MEN1HTT
SCHEMBL17717061 0.78 LMNA (0.64) ADCY1MAPTLMNATP53MEN1
SCHEMBL17717124 0.78 ADCY1 (0.65) ADCY1ADCY8MAPTLMNATP53
SCHEMBL17716970 0.77 ADCY1 (0.87) ADCY1ADCY8MAPTLMNAMEN1
SCHEMBL17717063 0.77 ADCY1 (0.87) ADCY1ADCY8MAPTLMNAMEN1

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 ADCY1 2927/4885ADCY8 2449/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADCY1 2927/4885ADCY8 2449/4885MAPT 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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