SCHEMBL17717063

SCHEMBL17717063

O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)CCCC2

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 15/20 0.87
▸ ADCY8 P40145 13/20 0.87
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ HTT P42858 3/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ RAB9A P51151 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.59
▸ GFER P55789 1/20 0.59

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
SCHEMBL20598207 0.93 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL17716957 0.91 ADCY1 (0.83) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL17716970 0.89 ADCY1 (0.87) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL17717038 0.89 ADCY1 (0.87) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL17719187 0.86 ADCY1 (0.76) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL20597850 0.82 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL20597900 0.82 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL20597882 0.82 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL21628055 0.81 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2MAPTHTT
SCHEMBL18947947 0.81 ADCY1 (0.70) ADCY1ADCY8SMN1; SMN2MAPTHTT

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 2449/4885SMN1; SMN2 1662/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADCY1 2927/4885ADCY8 2449/4885SMN1; 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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