SCHEMBL22926102

SCHEMBL22926102

Nc1cc(-c2ccc(C(F)(F)F)cn2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FEN1 P39748 2/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ RET P07949 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL811160 0.78 NPSR1 (0.53) NPSR1CASP3KDM4EKIF11KMT2A
SCHEMBL29595709 0.78 NPSR1 (0.53) NPSR1CASP3KDM4EKIF11KMT2A
SCHEMBL11258794 0.78 KDR (0.56) NPSR1KDRKDM4EKIF11ALDH1A1
SCHEMBL31215036 0.75 KDM4E (0.42) KDM4EALDH1A1MAPTBLM
SCHEMBL13662717 0.75 CCR1 (0.57) CASP3KDRKDM4EALDH1A1MAPT
SCHEMBL22925608 0.73 CASP3 (0.56) NPSR1CASP3KDM4EKIF11KDM1A
SCHEMBL17151677 0.72 HTR2C (0.46) NPSR1CASP3KMT2APOLB
SCHEMBL13659749 0.71 ALDH1A1 (0.39) KDM4EALDH1A1MAPTBLMKMT2A
SCHEMBL29620904 0.71 NPSR1 (0.44) NPSR1CASP3KDM4EKIF11ALDH1A1
SCHEMBL2318106 0.71 KDR (0.60) NPSR1KDRKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 — — US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB NPSR1 2967/4885CASP3 1714/4885KDR 3951/4885

“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.

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