SCHEMBL1997802

SCHEMBL1997802

CC(C)(C)OC(=O)Cc1nc(Cl)nc2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
KCNA5 P22460 1/20 0.33
CCNT1 O60563 1/20 0.32
MIF P14174 1/20 0.32
MMP13 P45452 1/20 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
SCHEMBL1995750 0.78 TRPV4 (0.41) KDM4EALDH1A1
SCHEMBL1996104 0.76 AAK1 (0.38) MTNR1AMTNR1BCCNT1
SCHEMBL1994168 0.72 KMT2A (0.42) KMT2A
SCHEMBL1994170 0.72 KMT2A (0.42) KMT2A
SCHEMBL1991935 0.71 HSD17B10 (0.44) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL38657977 0.71 KCNH2 (0.42) PARP1TNKSTNKS2KCNA5
SCHEMBL29098600 0.68 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2KDM4EKMT2A
SCHEMBL25972038 0.67 MTNR1A (0.49) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL19994734 0.67 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL29223296 0.66 LMNA (0.40) MTNR1AMTNR1BALDH1A1KMT2A

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 MTNR1A 365/4885MTNR1B 252/4885SMN1; SMN2 2548/4885

“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.