SCHEMBL19435711

SCHEMBL19435711

CCC(CCN=[N+]=[N-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CHRM1 P11229 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC1A2 P43004 4/20 0.39
▸ SLC1A1 P43005 4/20 0.39
▸ SLC1A3 P43003 3/20 0.39
▸ GCLC P48506 2/20 0.39
▸ GRIK1 P39086 2/20 0.33
▸ GRIK2 Q13002 2/20 0.33

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
SCHEMBL15995454 0.89 CA2 (0.57) CA2MAPK1CHRM1ADRA1AAKR1A1
SCHEMBL27714784 0.82 SLC1A1 (0.38) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL27721756 0.82 CA2 (0.42) CA2MAPK1CHRM1ADRA1AAKR1A1
SCHEMBL27701090 0.82 CA2 (0.42) CA2MAPK1CHRM1ADRA1AAKR1A1
SCHEMBL31519378 0.76 SLC1A2 (0.55) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL27809324 0.75 GABRR1 (0.46) CYP1A2
SCHEMBL125406 0.75 CA2 (0.71) CA2MAPK1CHRM1ADRA1AAKR1A1
SCHEMBL3125777 0.74 CA2 (0.48) CA2MAPK1CHRM1ADRA1AAKR1A1
SCHEMBL17311980 0.72 TET2 (0.44) —
SCHEMBL13873420 0.72 TET2 (0.44) —

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-20250135016-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON (US) 2025-05-01 — — US disclosed
US-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON 2020-06-18 — — US disclosed
WO-2018057941-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON (US) 2018-03-29 — — WO disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 — — 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 (3 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-20250135016-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION LIG4, LIG1, PCNA CA2 1048/4885MAPK1 4342/4885CHRM1 3758/4885
US-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION LIG4, LIG1, PCNA CA2 1048/4885MAPK1 4342/4885CHRM1 3758/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 CA2 614/4885MAPK1 3587/4885CHRM1 1379/4885

“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.

Send feedback