SCHEMBL8274902

SCHEMBL8274902

O=C(NCc1ccc(-c2ccccc2OCCN2CCOCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.57
▸ USP2 O75604 1/20 0.52
▸ POLB P06746 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTR1A P08908 3/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ HTR6 P50406 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HTT P42858 1/20 0.45
▸ ADAM17 P78536 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ TUBA1B P68363 1/20 0.44

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
SCHEMBL8215109 0.90 KDM4E (0.45) KDM4EUSP2POLBL3MBTL1HTR1A
SCHEMBL8274869 0.88 KDM4E (0.57) KDM4EUSP2POLBL3MBTL1SMN1; SMN2
SCHEMBL8273724 0.84 ADAM17 (0.49) KDM4EPOLBALDH1A1HTTADAM17
SCHEMBL8215093 0.83 ADAM17 (0.48) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL13542436 0.83 ADAM17 (0.46) KDM4EPOLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8223831 0.82 ADAM17 (0.48) KDM4EPOLBSMN1; SMN2ALDH1A1ADAM17
SCHEMBL8223839 0.82 ADAM17 (0.51) POLBALDH1A1HTTADAM17KMT2A
SCHEMBL8222002 0.81 ADAM17 (0.54) POLBADAM17KMT2A
SCHEMBL8220407 0.80 HTR1A (0.54) KDM4ESMN1; SMN2HTR1ADRD2HTR7
SCHEMBL8274825 0.78 ADAM17 (0.52) ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 KDM4E 4340/4885USP2 3136/4885POLB 1159/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 KDM4E 4521/4885USP2 3367/4885POLB 1552/4885

“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.

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