SCHEMBL31471952

SCHEMBL31471952

O=C(CNCCO)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PRMT5 O14744 1/20 0.52
▸ WDR77 Q9BQA1 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NLRP3 Q96P20 1/20 0.50
▸ P2RX1 P51575 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ DRD4 P21917 1/20 0.47

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
SCHEMBL26623324 0.80 MTNR1A (0.57) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL30865845 0.80 MTNR1A (0.57) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL9429773 0.79 NPC1 (0.55) KDM4EPRMT5WDR77ALDH1A1GAA
Hydrochloric Acid SCHEMBL20568958 0.79 ALDH1A1 (0.54) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL9842887 0.77 F2R (0.68) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL8605571 0.76 NPC1 (0.53) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL12480670 0.76 L3MBTL1 (0.61) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL2095975 0.76 ALDH1A1 (0.60) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL2095973 0.76 ALDH1A1 (0.60) PRMT5WDR77ALDH1A1GAAMAPT
SCHEMBL23060408 0.75 F2R (0.59) KDM4EPRMT5WDR77ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114350-A1 INHIBITORS OF PRENYLTRANSFERASES AS ANTIFUNGAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2025-04-10 — — 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-20250114350-A1 INHIBITORS OF PRENYLTRANSFERASES AS ANTIFUNGAL AGENTS FNTA, FNTB, FDPS KDM4E 2947/4885TDP1 2675/4885PRMT5 2002/4885

“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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