SCHEMBL16224357

SCHEMBL16224357

N=C(N/N=C/c1ccc2ccccc2c1)N/N=C/c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ HTT P42858 1/20 0.67
▸ ESR1 P03372 1/20 0.58
▸ ESRRG P62508 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PPARG P37231 1/20 0.53
▸ DNM1 Q05193 2/20 0.52
▸ FAAH O00519 1/20 0.51
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RRM1 P23921 1/20 0.49

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
Hydrochloric Acid SCHEMBL17560774 0.98 LMNA (0.65) LMNAHTTESR1ESRRGESR2
SCHEMBL4698440 0.88 LMNA (0.57) LMNAHTTESR1ESRRGESR2
SCHEMBL13779423 0.87 LMNA (0.72) LMNAHTTESR1ESRRGESR2
Hydrochloric Acid SCHEMBL9618640 0.85 LMNA (0.70) LMNAHTTESR1ESRRGESR2
Hydrochloric Acid SCHEMBL5703006 0.85 LMNA (0.70) LMNAHTTESR1ESRRGESR2
SCHEMBL4702924 0.84 LMNA (0.53) LMNAHTTESR1ESRRGESR2
SCHEMBL4698438 0.82 LMNA (0.51) LMNAHTTESR1ESRRGESR2
SCHEMBL4122642 0.81 ESR1 (0.65) LMNAHTTESR1ESRRGESR2
SCHEMBL4122644 0.81 ESR1 (0.65) LMNAHTTESR1ESRRGESR2
SCHEMBL21519402 0.80 HTT (1.00) LMNAHTTKDM4ENPSR1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566012-B2 Methods for treating protozoan infections NEOCULI PTY LTD (AU) 2023-01-31 — — US disclosed
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 — — EP disclosed
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-01-14 — — US disclosed
US-10829468-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-11-10 — — US disclosed
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-09-17 — — US disclosed
US-10752606-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-08-25 — — US disclosed
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 — — US disclosed
US-10562880-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-02-18 — — US disclosed
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2019-10-31 — — US disclosed
US-10392363-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2019-08-27 — — US disclosed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 — — US disclosed
US-10253002-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-04-09 — — US disclosed
US-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 — — US disclosed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 — — US disclosed
US-9327005-B1 Compositions and methods for improved energy metabolism VDF FUTURECEUTICALS, INC. (US) 2016-05-03 — — US disclosed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 — — WO disclosed
WO-2014176636-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2014-11-06 — — WO 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 (13 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B LMNA 3006/4885HTT 4128/4885ESR1 2281/4885
US-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885HTT 4128/4885ESR1 2281/4885
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10829468-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10562880-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10752606-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10392363-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885HTT 2244/4885ESR1 4488/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885HTT 4128/4885ESR1 2281/4885

“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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