SCHEMBL19449652

SCHEMBL19449652

CC/C(=N\NC(=N)N/N=C(\CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
OPRK1 P41145 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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 SCHEMBL17560743 0.98 MAPT (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL17560955 0.87 MAPT (0.51) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL17560954 0.87 MAPT (0.51) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL17560755 0.85 SMN1; SMN2 (0.55) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16224368 0.85 MAPT (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL19449854 0.84 MAPT (0.39) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL21882653 0.83 MAPT (0.40) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL21882655 0.83 ALDH1A1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL17560981 0.83 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL17560938 0.83 LMNA (0.41) MAPTALDH1A1MEN1KMT2ANPC1

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-3960729-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS Neoculi Pty Ltd (AU) 2022-03-02 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 MAPT 3694/4885ALDH1A1 840/4885MEN1 504/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALDH1A1 840/4885MEN1 504/4885

“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.