SCHEMBL30746464

SCHEMBL30746464

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 3/20 0.39
BTK Q06187 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KLK3 P07288 1/20 0.36

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
SCHEMBL103771 1.00 TDP1 (0.55) TDP1TSHRSMN1; SMN2HSD17B10JAK2
SCHEMBL7690779 0.85 HSD17B10 (0.44) TDP1TSHRSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL31130611 0.85 HSD17B10 (0.44) TDP1TSHRSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL29766546 0.83 TDP1 (0.41) TDP1TSHRSMN1; SMN2HSD17B10JAK2
SCHEMBL20681552 0.83 TDP1 (0.55) TDP1TSHRSMN1; SMN2L3MBTL1NPC1
SCHEMBL30129134 0.83 TDP1 (0.55) TDP1TSHRSMN1; SMN2L3MBTL1NPC1
SCHEMBL8222838 0.83 TDP1 (0.41) TDP1TSHRSMN1; SMN2HSD17B10JAK2
SCHEMBL1706340 0.81 TDP1 (0.41) TDP1TSHRSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL29744902 0.81 TDP1 (0.41) TDP1TSHRSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL1066079 0.81 TDP1 (0.50) TDP1TSHRSMN1; SMN2HSD17B10L3MBTL1

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
US-20260001845-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS INC (US) 2026-01-01 US disclosed
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. 2025-09-18 US disclosed
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 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 (2 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-20260001845-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS MAPK6, MAPK3, MAPK1 TDP1 3709/4885TSHR 1655/4885SMN1; SMN2 4314/4885
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS BRAF, MAP3K1, MAP3K5 TDP1 2342/4885TSHR 2849/4885SMN1; SMN2 4249/4885

“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.