SCHEMBL7425258

SCHEMBL7425258

O=c1ccc2c(CBr)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL15108883 0.83 DAO (0.60) PDE3BPDE3ADAODDOCA12
SCHEMBL31557870 0.81 PDE3B (0.55) PDE3BPDE3ADAODDOCA12
SCHEMBL16338725 0.81 PDE3B (0.55) PDE3BPDE3ADAODDOCA12
SCHEMBL29770446 0.78 ALDH1A1 (0.59) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL4045859 0.78 ALDH1A1 (0.59) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL429173 0.77 NPC1 (0.45) PDE3BPDE3ADAODDOCA12
SCHEMBL19326978 0.77 DAO (0.43) PDE3BPDE3ADAODDOCA12
SCHEMBL9275040 0.75 PDE3B (0.45) PDE3BPDE3ADAODDOCA12
SCHEMBL3874061 0.75 KDM4E (0.60) PDE3BPDE3ADAODDOCA12
SCHEMBL30946262 0.75 CA12 (0.47) PDE3BPDE3ACA12CA1CA3

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-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor ZENECA LIMITED 2002-04-04 US disclosed
EP-0971895-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR AstraZeneca AB (SE) 2000-01-19 EP disclosed
WO-1998043959-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR ZENECA LIMITED (GB) 1998-10-08 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-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor MMP1, HCAR1, MMP13 PDE3B 4191/4885PDE3A 3931/4885DAO 403/4885

“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.