SCHEMBL17716997

SCHEMBL17716997

O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 13/20 0.78
▸ ADCY8 P40145 12/20 0.78
▸ TDP1 Q9NUW8 5/20 0.78
▸ LMNA P02545 5/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ MAPT P10636 4/20 0.78
▸ HTT P42858 4/20 0.78
▸ SMN1; SMN2 Q16637 4/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ HSP90AA1 P07900 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.67
▸ GFER P55789 1/20 0.67
▸ RAB9A P51151 3/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ SAE1 Q9UBE0 1/20 0.60
▸ UBA2 Q9UBT2 1/20 0.60

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
SCHEMBL20597900 0.88 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL21628055 0.88 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL17716957 0.88 ADCY1 (0.83) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL20598120 0.87 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL20598226 0.85 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL17716998 0.85 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL20597954 0.85 ADCY1 (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL17716958 0.83 MAPT (1.00) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL30656644 0.82 KDM4E (0.77) ADCY1ADCY8TDP1LMNAKDM4E
SCHEMBL26665250 0.82 KDM4E (0.77) ADCY1ADCY8TDP1LMNAKDM4E

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 2449/4885TDP1 3980/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADCY1 2927/4885ADCY8 2449/4885TDP1 3980/4885

“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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