SCHEMBL1587967

SCHEMBL1587967

Cc1cc(CNC(=O)c2ccc(C(=O)NN)s2)nn1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 3/20 0.61
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ALOX15 P16050 1/20 0.60
CYP3A4 P08684 1/20 0.49
POLB P06746 3/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ROCK2 O75116 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.42

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
SCHEMBL17029122 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL1587633 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL13060078 0.85 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL12529458 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL2755869 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL12529533 0.75 KMT2A (0.62) ALDH1A1SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL12529550 0.75 ADORA2A (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDTSHR
SCHEMBL17092385 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL1587649 0.73 P2RX3 (0.44) ALDH1A1KDM4EHPGDCYP3A4POLB
SCHEMBL13870640 0.73 HTT (0.61) ALDH1A1SMN1; SMN2HTTKDM4ELMNA

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 ALDH1A1 2481/4885SMN1; SMN2 2934/4885HTT 1253/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO ALDH1A1 2481/4885SMN1; SMN2 2934/4885HTT 1253/4885

“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.