SCHEMBL22939441

SCHEMBL22939441

Nc1cccc(-c2cn3cc(C(=O)NC4CCC4)ccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
HPGDS O60760 8/20 0.61
MLLT1 Q03111 1/20 0.60
MAP4K4 O95819 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.44
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL31460463 0.89 HPGDS (0.64) MAPTNPC1RAB9AHPGDSMLLT1
SCHEMBL22939333 0.82 RAB9A (0.74) MAPTNPC1RAB9AHPGDSKDM4E
SCHEMBL22939439 0.82 MLLT1 (0.61) MAPTNPC1RAB9AHPGDSMLLT1
SCHEMBL5342868 0.81 HPGDS (0.61) NPC1RAB9AHPGDSMLLT1KDM4E
SCHEMBL31460922 0.78 MLLT1 (0.62) MAPTHPGDSMLLT1MAP4K4
SCHEMBL5343150 0.76 HPGDS (0.66) NPC1RAB9AHPGDSMLLT1KDM4E
SCHEMBL25480030 0.75 MLLT1 (0.88) MAPTNPC1RAB9AHPGDSMLLT1
SCHEMBL25513463 0.74 MLLT1 (0.87) MAPTNPC1RAB9AHPGDSMLLT1
SCHEMBL4490900 0.74 HPGDS (0.58) HPGDSMLLT1
SCHEMBL22939414 0.73 MLLT1 (0.73) MAPTNPC1RAB9AHPGDSMLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274980-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-01 US disclosed
WO-2021021904-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2021-02-04 WO disclosed
WO-2021021904-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2021-02-04 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-20220274980-A1 PHARMACOLOGICAL INHIBITORS OF THE ENL YEATS DOMAIN YEATS2, MLLT1, YEATS4 MAPT 2067/4885NPC1 1451/4885RAB9A 3547/4885

“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.