SCHEMBL23830693

SCHEMBL23830693

COC(=O)COc1cc(F)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS2 P35354 1/20 0.40
RAB9A P51151 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
SCHEMBL9369168 0.90 MAPT (0.47) HMGCRMAPTALDH1A1HTTLMNA
SCHEMBL30662465 0.90 MAPT (0.47) HMGCRMAPTALDH1A1HTTLMNA
SCHEMBL10595171 0.85 MAPT (0.42) HMGCRMAPTALDH1A1HTTLMNA
SCHEMBL9838522 0.81 KDM4E (0.44) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6815278 0.81 LMNA (0.56) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL31757016 0.81 ALDH1A1 (0.51) MAPTALDH1A1HTTLMNACYP3A4
SCHEMBL29195279 0.80 LMNA (0.58) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL16388497 0.80 ALDH1A1 (0.52) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8876679 0.80 ALDH1A1 (0.65) MAPTALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL6815164 0.78 LMNA (0.60) MAPTALDH1A1HTTLMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN 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-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 HMGCR 3990/4885MAPT 3200/4885ALDH1A1 3997/4885

“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.