SCHEMBL7058094

SCHEMBL7058094

CCS(=O)(=O)C(C)n1c([N+](=O)[O-])cnc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
ALDH1A1 P00352 3/20 0.47
THRB P10828 2/20 0.47
TSHR P16473 1/20 0.46
CA12 O43570 4/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM1 P11229 1/20 0.44
GAA P10253 1/20 0.42
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 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
SCHEMBL13433889 0.79 MAPK1 (0.55) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL28484741 0.79 MAPK1 (0.56) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL28927428 0.78 MAPK1 (0.51) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL9780860 0.77 MAPK1 (0.50) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL811043 0.76 MAPK1 (0.60) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL10401900 0.76 MAPK1 (0.56) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL11518408 0.75 ALDH1A1 (0.58) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL11521579 0.73 MAPK1 (0.60) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL11492372 0.72 ALDH1A1 (0.51) LMNASMN1; SMN2MAPK1ATMCA1
SCHEMBL28354112 0.72 MAPK1 (0.55) LMNASMN1; SMN2MAPK1ATMCA1

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
CN-1455772-A Preventive or remedial agent for allergic disease and medical water-based liquid preparation, eye drop and nasal drop SHOEI CO LTD (JP) 2003-11-12 CN disclosed
EP-1352903-A1 PREVENTIVE OR REMEDIAL AGENT FOR ALLERGIC DISEASE AND MEDICAL WATER-BASED LIQUID PREPARATION, EYE DROP, AND NASAL DROP SHOEI CO., LTD. (JP) 2003-10-15 EP disclosed
US-20030144335-A1 Preventive or remedial agent for allergic disease and medical water-based liquid preparation, eye drop, and nasal drop SHOEI CO., LTD. (JP) 2003-07-31 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-20030144335-A1 Preventive or remedial agent for allergic disease and medical water-based liquid preparation, eye drop, and nasal drop NOS1, NNT, NOS2 LMNA 2747/4885SMN1; SMN2 1427/4885MAPK1 749/4885

“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.