SCHEMBL21361444

SCHEMBL21361444

Fc1ccccc1N1CCN(I)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 4/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL23161511 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL3042980 0.80 ALDH1A1 (0.56) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL1372296 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL735202 0.79 ALDH1A1 (0.61) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL30851436 0.78 KEAP1 (0.57) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL6005480 0.78 KEAP1 (0.57) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL1239113 0.78 KEAP1 (0.57) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL4793090 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ETSHRALDH1A1POLB
Hydrochloric Acid SCHEMBL27412576 0.77 KEAP1 (0.55) SMN1; SMN2KDM4ETSHRALDH1A1POLB
SCHEMBL1267622 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ETSHRALDH1A1POLB

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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 SMN1; SMN2 4242/4885KDM4E 1433/4885TSHR 4856/4885

“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.