SCHEMBL17574146

SCHEMBL17574146

N=C(N)N/N=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.52
XBP1 P17861 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
ESRRG P62508 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL11878136 1.00 LMNA (0.71) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
Hydrochloric Acid SCHEMBL17560930 0.98 LMNA (0.69) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
Hydrochloric Acid SCHEMBL6510856 0.98 LMNA (0.69) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
SCHEMBL20878217 0.89 LMNA (0.56) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
SCHEMBL10662351 0.86 LMNA (0.66) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10662338 0.86 LMNA (0.66) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10054978 0.86 KDM4E (0.63) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL11768006 0.85 LMNA (0.64) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
Hydrochloric Acid SCHEMBL11769085 0.85 LMNA (0.64) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10665098 0.84 LMNA (0.63) LMNAALDH1A1SMN1; SMN2XBP1KDM4E

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
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 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

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 3006/4885ALDH1A1 1016/4885SMN1; SMN2 3440/4885
US-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885ALDH1A1 1016/4885SMN1; SMN2 3440/4885
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10829468-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10562880-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10752606-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10392363-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS LMNA 2337/4885ALDH1A1 840/4885SMN1; SMN2 3002/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885ALDH1A1 1016/4885SMN1; SMN2 3440/4885

“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.