SCHEMBL3072283

SCHEMBL3072283

COC(=O)N1C(=O)C(C)(C)Oc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.60
BCHE P06276 1/20 0.45
POLB P06746 2/20 0.43
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
PRTN3 P24158 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL4969646 0.76 POLB (0.61) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL16362032 0.76 NISCH (0.52) P2RX4POLBELANECTSGPRTN3
SCHEMBL8630231 0.72 P2RX4 (0.48) P2RX4ALDH1A1
SCHEMBL8632712 0.72 P2RX4 (0.48) P2RX4ALDH1A1
SCHEMBL4970309 0.71 ALDH1A1 (0.48) POLBELANECTSGPRTN3MEN1
SCHEMBL4409521 0.70 P2RX4 (0.49) P2RX4BCHEALDH1A1
SCHEMBL19527738 0.70 REN (0.44) POLBELANECTSGPRTN3MEN1
SCHEMBL17027045 0.69 ALPL (0.49) POLBELANECTSGPRTN3MEN1
SCHEMBL20752138 0.69 SLC9A1 (0.52) P2RX4ELANECTSGPRTN3ALDH1A1
SCHEMBL28965671 0.69 P2RX4 (0.44) P2RX4BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 P2RX4 414/4885BCHE 1364/4885POLB 1031/4885

“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.