SCHEMBL4212172

SCHEMBL4212172

COc1ccc(-c2cc(C(=O)N[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)c(N)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.52
▸ PARP1 P09874 2/20 0.46
▸ PBK Q96KB5 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ RIPK1 Q13546 2/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43

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
SCHEMBL1564584 0.91 USP30 (0.64) USP30PARP1PBKHDAC4HDAC6
SCHEMBL4994970 0.89 CHEK1 (0.56) USP30CHEK1
SCHEMBL1563670 0.88 USP30 (0.68) USP30PARP1PBKHDAC4HDAC6
SCHEMBL5004721 0.87 CHEK1 (0.59) USP30PARP1CHEK1
SCHEMBL4994947 0.87 CHEK1 (0.59) USP30PARP1CHEK1
SCHEMBL4219757 0.87 CHEK1 (0.59) USP30PARP1CHEK1
SCHEMBL5820429 0.85 USP30 (0.53) USP30PARP1PBKHDAC4HDAC6
SCHEMBL5000963 0.84 CHEK1 (0.54) USP30PARP1PBKHDAC4HDAC6
SCHEMBL5001091 0.83 CHEK1 (0.55) USP30PARP1ALDH1A1CHEK1
SCHEMBL5001062 0.83 CHEK1 (0.58) USP30CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — 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 (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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP USP30 4465/4885PARP1 1720/4885PBK 873/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT USP30 3894/4885PARP1 2347/4885PBK 1268/4885

“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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