SCHEMBL25070099

SCHEMBL25070099

C/N=C(\N)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.47
▸ GRIN2B Q13224 5/20 0.47
▸ HDAC8 Q9BY41 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ KAT6A Q92794 2/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40

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
SCHEMBL1580873 0.85 KAT6A (0.46) F10GRIN2BHDAC8TAS1R3TAS1R1
SCHEMBL1580875 0.85 KAT6A (0.46) F10GRIN2BHDAC8TAS1R3TAS1R1
SCHEMBL29478758 0.85 KAT6A (0.46) F10GRIN2BHDAC8TAS1R3TAS1R1
SCHEMBL29448761 0.78 PARP1 (0.61) F10TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL31322467 0.78 F10 (0.47) F10GRIN2BHDAC8TAS1R3TAS1R1
SCHEMBL23062938 0.78 F10 (0.47) F10GRIN2BHDAC8TAS1R3TAS1R1
SCHEMBL711132 0.78 PARP1 (0.61) F10TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL8810191 0.78 F10 (0.64) F10PRSS1PRSS2PRSS3
SCHEMBL16959752 0.78 TAS1R3 (0.48) F10HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL14818810 0.77 KAT6A (0.48) HDAC8TAS1R3TAS1R1TAS1R2KAT6A

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-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-23 — — 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-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT SIRT6, SIRT1, SIRT2 F10 3420/4885GRIN2B 4799/4885HDAC8 45/4885

“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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