SCHEMBL1588044

SCHEMBL1588044

CCC(C#N)C(=O)c1ccc(C(=O)NN)s1.CCC(C#N)C(=O)c1ccc(C(=O)OC)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32

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
SCHEMBL1588149 0.92 ALDH1A1 (0.42) LMNAALDH1A1MAPTPOLBKDM4E
SCHEMBL1587492 0.92 HPGD (0.46) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL14625177 0.81 KDM4E (0.41) HPGDLMNAALDH1A1MAPTPOLB
SCHEMBL6662656 0.81 MAPT (0.53) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL1304018 0.81 MAPT (0.53) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL2638367 0.80 DAO (0.42) HPGDALDH1A1MAPTPOLB
SCHEMBL14625174 0.78 F2 (0.41) NPSR1MAPK1ALDH1A1MAPTKDM4E
SCHEMBL12529804 0.73 HPGD (0.44) HPGDTSHRL3MBTL1LMNAALDH1A1
SCHEMBL11977472 0.70 YEATS4 (0.42) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL1588287 0.70 NPSR1 (0.51) NPSR1HPGDTSHRMAPK1ATM

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 NPSR1 102/4885HPGD 2277/4885TSHR 25/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO NPSR1 102/4885HPGD 2277/4885TSHR 25/4885

“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.