SCHEMBL19449682

SCHEMBL19449682

N#Cc1ccc(/C=N/NC(=O)N/N=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
GAA P10253 3/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 3/20 0.61
GRK2 P25098 1/20 0.53
FAAH O00519 1/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALPL P05186 1/20 0.53
POLB P06746 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
BLM P54132 1/20 0.53
ATM Q13315 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
SPHK2 Q9NRA0 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
SCHEMBL17560869 1.00 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL17560990 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL17560988 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL11230215 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL11230219 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL15897559 0.82 KDM4E (0.53) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL31005086 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HTTKDM4EFAAH
Hydrochloric Acid SCHEMBL11771736 0.81 KDM4E (0.59) ALDH1A1SMN1; SMN2HTTGAALMNA
Hydrochloric Acid SCHEMBL11771741 0.81 KDM4E (0.59) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL19449719 0.80 GFER (0.62) ALDH1A1SMN1; SMN2HTTGAAGRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 US disclosed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885SMN1; SMN2 3002/4885HTT 2244/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885SMN1; SMN2 3002/4885HTT 2244/4885

“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.