SCHEMBL19016864

SCHEMBL19016864

Clc1ccc(Nc2nc(N/N=C/c3cccnc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.58
▸ MAPT P10636 8/20 0.58
▸ HTT P42858 7/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ LMNA P02545 10/20 0.56
▸ GAA P10253 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ GBA1 P04062 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TEX264 Q9Y6I9 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ PIKFYVE Q9Y2I7 1/20 0.52

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
SCHEMBL23345485 0.90 KMT2A (0.67) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL22737807 0.82 MAPT (0.68) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL22737374 0.82 MAPT (0.62) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL13576487 0.81 LMNA (0.81) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL22737384 0.81 MAPT (0.70) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL22892510 0.81 MAPT (0.59) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL23345459 0.80 KMT2A (0.72) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL23345481 0.79 KMT2A (0.70) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL23345488 0.77 MAPT (0.86) KMT2AMAPTHTTMEN1NPSR1
SCHEMBL8909541 0.77 KMT2A (0.57) KMT2AMAPTHTTMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200375996-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY D.E. SHAW RESEARCH, LLC (US) 2020-12-03 — — US disclosed
WO-2017106367-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY D.E. SHAW RESEARCH, LLC (US) 2017-06-22 — — 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 (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-20200375996-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, NEDD4 KMT2A 2524/4885MAPT 48/4885HTT 8/4885

“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.

Send feedback