SCHEMBL1993736

SCHEMBL1993736

CCOC(=O)Cc1nc(Cl)nc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
PRNP P04156 1/20 0.48
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MAOB P27338 2/20 0.41
CASP3 P42574 2/20 0.41
PDE10A Q9Y233 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1993219 0.87 KDM4E (0.49) ALDH1A1TDP1HPGDMEN1KMT2A
SCHEMBL31647297 0.82 ALDH1A1 (0.51) ALDH1A1TDP1PRNPKMT2APOLB
SCHEMBL1992679 0.81 MEN1 (0.43) ALDH1A1TDP1PRNPHPGDMEN1
SCHEMBL1991125 0.78 HRH4 (0.55) ALDH1A1TDP1PRNPMEN1KMT2A
SCHEMBL1990509 0.76 LATS1 (0.42) ALDH1A1HTTSMN1; SMN2KDM4ETNF
SCHEMBL1037652 0.74 NMT2 (0.45) ALDH1A1TDP1PRNPHPGDMEN1
SCHEMBL1996104 0.74 AAK1 (0.38) TSHR
SCHEMBL163631 0.72 TSHR (0.52) ALDH1A1TDP1PRNPHPGDMEN1
SCHEMBL1991935 0.72 HSD17B10 (0.44) ALDH1A1TDP1PRNPHPGDMEN1
SCHEMBL1991573 0.72 KDM4E (0.51) ALDH1A1TDP1HPGDMEN1KMT2A

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 ALDH1A1 297/4885TDP1 2210/4885PRNP 1847/4885

“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.