SCHEMBL7675580

SCHEMBL7675580

COc1cc(OC)c(/C=N/NC(=N)N)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
ERN1 O75460 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP9 P14780 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7748750 1.00 MAPT (0.44) MAPTLMNAERN1HDAC3HDAC1
Acetic Acid SCHEMBL915326 0.93 MAPT (0.45) MAPTLMNAERN1HDAC3HDAC1
Acetic Acid SCHEMBL915323 0.93 MAPT (0.45) MAPTLMNAERN1HDAC3HDAC1
SCHEMBL915569 0.89 MAPT (0.43) MAPTLMNAERN1HDAC3HDAC1
SCHEMBL23996053 0.88 HDAC3 (0.53) MAPTLMNAHDAC3HDAC1HDAC2
Acetic Acid SCHEMBL915567 0.86 ERN1 (0.49) MAPTLMNAERN1HDAC3HDAC1
Acetic Acid SCHEMBL915565 0.86 ERN1 (0.49) MAPTLMNAERN1HDAC3HDAC1
SCHEMBL13673612 0.83 HDAC3 (0.46) MAPTLMNAERN1HDAC3HDAC1
SCHEMBL13673607 0.83 HDAC3 (0.46) MAPTLMNAERN1HDAC3HDAC1
SCHEMBL13673620 0.83 MAPT (0.43) MAPTLMNAERN1HDAC3HDAC1

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-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US claimed
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-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 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-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 MAPT 4350/4885LMNA 1968/4885ERN1 1744/4885

“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.