SCHEMBL540863

SCHEMBL540863

O=C(CO)N/N=C/c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.65
LMNA P02545 3/20 0.65
CYP1A2 P05177 2/20 0.64
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
F2 P00734 1/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 1/20 0.62
PPARG P37231 1/20 0.62
GCGR P47871 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ATM Q13315 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
SCHEMBL30826106 1.00 POLB (0.65) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL540864 1.00 POLB (0.65) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL1514377 0.87 PPARG (0.75) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL1514380 0.87 PPARG (0.75) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL27178092 0.84 LMNA (0.67) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL27178087 0.84 LMNA (0.67) POLBLMNACYP1A2MEN1KMT2A
SCHEMBL30826048 0.81 ALDH1A1 (0.69) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL22925029 0.81 ALDH1A1 (0.69) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL27178064 0.81 ALDH1A1 (0.69) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL28149029 0.81 ALDH1A1 (0.65) POLBLMNAMEN1KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
EP-2413696-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE Mount Sinai School Of Medicine Of New York University (US) 2012-02-08 EP claimed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US disclosed
EP-2413696-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE Mount Sinai School Of Medicine Of New York University (US) 2012-02-08 EP disclosed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 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 (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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 POLB 3494/4885LMNA 4726/4885CYP1A2 323/4885

“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.