SCHEMBL7747076

SCHEMBL7747076

COc1ccc(/C=N/NC(=N)N)cc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 7/20 0.60
CYP1A2 P05177 2/20 0.60
MMP9 P14780 1/20 0.59
MPO P05164 2/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
GAA P10253 4/20 0.56
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 1/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL7747080 1.00 SMN1; SMN2 (0.64) SMN1; SMN2MAPTCYP1A2MMP9MPO
SCHEMBL24211909 0.90 ALDH1A1 (0.63) SMN1; SMN2MAPTMMP9GAAALDH1A1
SCHEMBL12766462 0.89 MMP9 (0.75) SMN1; SMN2MAPTMMP9MPOGAA
SCHEMBL24211805 0.89 MMP9 (0.75) SMN1; SMN2MAPTMMP9MPOGAA
SCHEMBL19449697 0.88 MAPT (0.64) SMN1; SMN2MAPTCYP1A2MMP9MPO
Hydrochloric Acid SCHEMBL17560998 0.87 MAPT (0.62) SMN1; SMN2MAPTCYP1A2MMP9MPO
SCHEMBL24211803 0.86 SMN1; SMN2 (0.61) SMN1; SMN2MAPTCYP1A2MMP9MPO
SCHEMBL28330693 0.86 MMP9 (0.80) SMN1; SMN2MAPTCYP1A2MMP9MPO
SCHEMBL23996059 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTCYP1A2MMP9MPO
SCHEMBL17044495 0.84 KDM4E (0.51) SMN1; SMN2MAPTMMP9ALDH1A1HTT

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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 US disclosed
US-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 SMN1; SMN2 4332/4885MAPT 4350/4885CYP1A2 3390/4885
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 SMN1; SMN2 4332/4885MAPT 4350/4885CYP1A2 3390/4885

“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.