SCHEMBL12529776

SCHEMBL12529776

CCc1csc(C(=O)N(C)Cc2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.48
▸ HDAC4 P56524 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ MMP13 P45452 1/20 0.46
▸ HSD17B2 P37059 2/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CDC7 O00311 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 0.84 MMP13 (0.53) USP2HDAC4HDAC6MMP13HSD17B2
SCHEMBL12529304 0.81 HDAC4 (0.48) USP2HDAC4HDAC6MMP13HSD17B2
SCHEMBL12722482 0.79 NTRK1 (0.45) HDAC4HDAC6HSD17B2HSD17B1HPGD
SCHEMBL12313829 0.78 RAB9A (0.47) USP2HDAC4HDAC6MMP13HSD17B2
SCHEMBL10208115 0.77 HPGD (0.50) USP2HDAC4HDAC6HSD17B2HSD17B1
SCHEMBL10268291 0.75 KMT2A (0.64) MMP13HSD17B2HSD17B1HPGDHTT
SCHEMBL25561359 0.72 HPGD (0.45) HDAC4HDAC6HSD17B2HSD17B1HPGD
SCHEMBL19210473 0.71 MMP13 (0.53) USP2MMP13HPGDROCK2ROCK1
SCHEMBL12265902 0.71 HDAC3 (0.49) USP2HDAC4HDAC6MMP13HSD17B2
SCHEMBL12529759 0.71 MMP13 (0.40) USP2HDAC4HDAC6MMP13HSD17B2

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 USP2 4183/4885HDAC4 3476/4885HDAC6 3330/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO USP2 4183/4885HDAC4 3476/4885HDAC6 3330/4885

“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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