SCHEMBL24868449

SCHEMBL24868449

CC(C)c1ccnc(CCC(C)c2ccnc(F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL20272654 0.85 LOXL2 (0.35) ALDH1A1LOXL2RXRAGRIN1GRIN2B
SCHEMBL84449 0.80 LOXL2 (0.42) ALDH1A1LOXL2LMNACYP3A4AAK1
SCHEMBL12394763 0.79 HRH4 (0.40) ALDH1A1RXRAGRIN1GRIN2BKDM4E
SCHEMBL25135431 0.78 CHRNA7 (0.39) ALDH1A1RXRAGRIN1GRIN2B
SCHEMBL24946111 0.78 LOXL2 (0.30) LOXL2
SCHEMBL21398388 0.78 LOXL2 (0.39) LOXL2KDM4ELMNACYP3A4TSHR
SCHEMBL26791964 0.78 LOXL2 (0.35) ALDH1A1LOXL2RXRAGRIN1GRIN2B
SCHEMBL20143958 0.77 LMNA (0.40) ALDH1A1RXRAGRIN1GRIN2BLMNA
SCHEMBL19821720 0.75 KDM4E (0.35) ALDH1A1RXRAGRIN1GRIN2BKDM4E
SCHEMBL18507169 0.75 LOXL2 (0.30) LOXL2

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-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-01-12 — — 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-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 ALDH1A1 1726/4885LOXL2 32/4885RXRA 227/4885

“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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