SCHEMBL12529304

SCHEMBL12529304

CN(Cc1ccncc1)C(=O)c1cc(C(C)(C)C)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 4/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ MMP13 P45452 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HSD17B2 P37059 3/20 0.43
▸ HSD17B1 P14061 2/20 0.43
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37

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
SCHEMBL14625555 0.82 MMP13 (0.53) HDAC4HDAC6MMP13USP2HSD17B2
SCHEMBL12529776 0.81 USP2 (0.48) HDAC4HDAC6MMP13USP2HSD17B2
SCHEMBL12529297 0.79 HDAC4 (0.43) HDAC4HDAC6MEN1KMT2ARAB9A
SCHEMBL17886728 0.78 MMP13 (0.61) HDAC6MMP13HDAC3HDAC1NAMPT
SCHEMBL12265902 0.77 HDAC3 (0.49) HDAC4HDAC6MMP13USP2HSD17B2
SCHEMBL13335939 0.75 EPHX2 (0.36) HDAC4HDAC6HSD17B2HSD17B1RAB9A
SCHEMBL12529292 0.72 THRA (0.41) HDAC4HDAC6MMP13USP2HSD17B2
SCHEMBL12265797 0.70 RIPK1 (0.50) MMP13USP2ROCK2ROCK1NAMPT
SCHEMBL12313829 0.70 RAB9A (0.47) HDAC4HDAC6MMP13USP2HSD17B2
SCHEMBL19210473 0.69 MMP13 (0.53) MMP13USP2ROCK2ROCK1NAMPT

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-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 — — US disclosed
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 — — US disclosed
US-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-05-07 — — 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-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO HDAC4 3476/4885HDAC6 3330/4885MMP13 1683/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO HDAC4 3476/4885HDAC6 3330/4885MMP13 1683/4885

“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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