SCHEMBL1992580

SCHEMBL1992580

CN1CCN(c2nc(CC(N)=O)c3ccsc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.42
HTR2C P28335 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39
HRH4 Q9H3N8 5/20 0.39
HTR3A P46098 2/20 0.39
FLT3 P36888 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
APOBEC3A P31941 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1995864 0.81 PIK3R1 (0.43) KDM4EGLAHTTHTR6HRH4
SCHEMBL1993681 0.79 HRH4 (0.61) KDM4EGLAHTTHRH4HTR3A
SCHEMBL1995226 0.76 LATS1 (0.45) KDM4EGLAHTTHTR6HRH4
SCHEMBL1994137 0.76 HRH4 (0.50) HTR2CKDM4EGLAHTTHTR6
SCHEMBL1993409 0.76 HRH4 (0.50) KDM4EGLAHTTHRH4HTR3A
SCHEMBL1991112 0.75 HRH4 (0.65) KDM4EHRH4HTR3A
SCHEMBL1993947 0.75 PRKCB (0.45) KDM4EGLAHTTHTR6HRH4
SCHEMBL1990158 0.75 HRH4 (0.49) KDM4EGLAHTTHTR6HRH4
SCHEMBL1998966 0.74 EHMT1 (0.51) KDM4EHTTSMN1; SMN2HTR6HRH4
SCHEMBL1989810 0.73 CHEK1 (0.36) HTR2CKDM4ESMN1; SMN2FLT3L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (1 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO GGPS1 50/4885HTR2C 648/4885HCRTR1 2280/4885

“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.