SCHEMBL1588087

SCHEMBL1588087

NNC(=O)c1ccc(C(=O)NCc2ccno2)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC3 O15379 2/20 0.41
SLC8A1 P32418 8/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1587102 0.85 HDAC1 (0.43) HPGDALDH1A1HDAC1HDAC6HDAC4
SCHEMBL12529433 0.81 RAB9A (0.47) HPGDALDH1A1HDAC1HDAC6HDAC4
SCHEMBL14625223 0.78 HPGD (0.41) HPGDALDH1A1HDAC1HDAC6HDAC4
SCHEMBL1587639 0.75 HPGD (0.72) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL1587414 0.75 SMN1; SMN2 (0.42) HPGDALDH1A1HDAC1HDAC6HDAC4
SCHEMBL1587179 0.75 HSD17B10 (0.53) ALDH1A1HDAC1HDAC6HDAC4HDAC3
SCHEMBL276955 0.74 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC6HDAC4HDAC3
SCHEMBL15577656 0.73 CTSK (0.41) SLC8A1POLBMAPTTSHR
SCHEMBL1587891 0.72 HPGD (0.72) HPGDALDH1A1KDM4EPOLBRAB9A
SCHEMBL12529550 0.72 ADORA2A (0.50) HPGDALDH1A1KDM4EPOLBMAPT

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 6 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-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-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
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 HPGD 2277/4885ALDH1A1 2481/4885HDAC1 1773/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO HPGD 2277/4885ALDH1A1 2481/4885HDAC1 1773/4885

“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.