SCHEMBL21882653

SCHEMBL21882653

CCOC/C(=N\NC(=N)N/N=C(\COCC)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
AGTR1 P30556 1/20 0.34
OPRK1 P41145 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL19449766 0.87 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL19449652 0.83 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL17560743 0.81 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL17560755 0.79 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL19449854 0.78 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL21882655 0.77 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL17560981 0.77 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL17560938 0.76 LMNA (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL21882656 0.75 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL17560954 0.71 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 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 (1 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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885SMN1; SMN2 3002/4885ALDH1A1 840/4885

“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.