SCHEMBL25735159

SCHEMBL25735159

O=C(NCCCCCC1CCN(C(=O)c2cccs2)C1)Nc1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ CCR3 P51677 2/20 0.41
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL25735204 1.00 KDM4E (0.41) KDM4ECCR3PABPC1EIF4HNPC1
SCHEMBL25735162 0.91 PABPC1 (0.41) KDM4ECCR3PABPC1EIF4HNPC1
SCHEMBL25735207 0.91 PABPC1 (0.41) KDM4ECCR3PABPC1EIF4HNPC1
SCHEMBL25735183 0.89 PABPC1 (0.45) KDM4EPABPC1EIF4HNPC1MAPT
SCHEMBL25735148 0.89 PABPC1 (0.45) KDM4EPABPC1EIF4HNPC1MAPT
SCHEMBL25735188 0.89 PABPC1 (0.45) KDM4EPABPC1EIF4HNPC1MAPT
SCHEMBL25735184 0.89 PABPC1 (0.45) KDM4EPABPC1EIF4HNPC1MAPT
SCHEMBL25642246 0.88 KDM4E (0.38) KDM4ECCR3PABPC1EIF4HNPC1
SCHEMBL25643965 0.88 KDM4E (0.38) KDM4ECCR3PABPC1EIF4HNPC1
SCHEMBL25735265 0.86 NAMPT (0.48) CCR3NAMPTBTK

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-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT KDM4E 2016/4885CCR3 3581/4885PABPC1 1223/4885

“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