SCHEMBL21090792

SCHEMBL21090792

Nc1nc2cc(I)ccc2c(=O)n1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.50
HCAR1 Q9BXC0 1/20 0.40
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
APP P05067 1/20 0.35
TSHR P16473 2/20 0.35
PLA2G1B P04054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21090745 0.83 CTSD (0.50) CTSDHCAR1ALOX15GAAMEN1
SCHEMBL21090746 0.80 CTSD (0.47) CTSDHCAR1ALOX15GAAMEN1
SCHEMBL21089924 0.76 KDM4E (0.61) CTSDMEN1KMT2AAPPKDM4E
SCHEMBL21064290 0.74 CTSD (0.42) CTSDHCAR1ALOX15GAAMEN1
SCHEMBL9953326 0.67 PI4KA (0.45) CTSDHCAR1MEN1KMT2AATM
SCHEMBL9952794 0.67 HCAR1 (0.41) CTSDHCAR1MEN1KMT2AATM
SCHEMBL22736790 0.67 TSHR (0.40) CTSDALOX15GAATSHR
SCHEMBL12177192 0.65 PARG (0.41) MEN1KMT2AAPPTSHRKDM4E
SCHEMBL6922422 0.64 ACHE (0.35)
SCHEMBL24463605 0.64 KDM4E (0.57) GAAKDM4EALDH1A1HTTL3MBTL1

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-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. 2020-11-26 US disclosed
WO-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 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-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 CTSD 4473/4885HCAR1 3320/4885ALOX15 3883/4885

“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.