SCHEMBL17717008

SCHEMBL17717008

O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 12/20 0.69
▸ ADCY8 P40145 11/20 0.69
▸ KDM4E B2RXH2 5/20 0.69
▸ MAPT P10636 5/20 0.69
▸ TDP1 Q9NUW8 5/20 0.69
▸ HTT P42858 4/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.66
▸ GFER P55789 1/20 0.66
▸ RAB9A P51151 3/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ HSP90AA1 P07900 1/20 0.60
▸ CACNA1G O43497 1/20 0.58
▸ CACNA1H O95180 1/20 0.58
▸ CACNA1I Q9P0X4 1/20 0.58

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
SCHEMBL21628055 0.82 ADCY1 (1.00) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL17717002 0.82 ADCY1 (0.69) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL17716957 0.82 ADCY1 (0.83) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL17717106 0.79 KDM4E (0.62) ADCY1KDM4EMAPTTDP1HTT
SCHEMBL17716975 0.78 ADCY1 (0.66) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL17716949 0.78 KDM4E (0.77) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL20597900 0.78 ADCY1 (1.00) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL20597882 0.78 ADCY1 (1.00) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL20597850 0.78 ADCY1 (1.00) ADCY1ADCY8KDM4EMAPTTDP1
SCHEMBL20598207 0.78 ADCY1 (1.00) ADCY1ADCY8KDM4EMAPTTDP1

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 2449/4885KDM4E 916/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADCY1 2927/4885ADCY8 2449/4885KDM4E 916/4885

“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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