SCHEMBL17716949

SCHEMBL17716949

Cc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.77
▸ HTT P42858 5/20 0.77
▸ MAPT P10636 4/20 0.77
▸ TDP1 Q9NUW8 4/20 0.77
▸ ADCY1 Q08828 12/20 0.72
▸ ADCY8 P40145 11/20 0.72
▸ LMNA P02545 3/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ GFER P55789 1/20 0.66

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 0.84 ADCY1 (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL20597882 0.82 ADCY1 (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL17716957 0.82 ADCY1 (0.83) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL17717000 0.80 KDM4E (0.72) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL17716958 0.80 MAPT (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL17717008 0.78 ADCY1 (0.69) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL20598164 0.78 ADCY1 (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL20598226 0.78 ADCY1 (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL20597900 0.78 ADCY1 (1.00) KDM4EHTTMAPTTDP1ADCY1
SCHEMBL17717038 0.78 ADCY1 (0.87) KDM4EHTTMAPTTDP1ADCY1

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 KDM4E 916/4885HTT 4354/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885HTT 4354/4885MAPT 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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