SCHEMBL8521747

SCHEMBL8521747

Cc1ccc(C(=O)CN2CCCC/C2=N\C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC6A3 Q01959 6/20 0.40
▸ SLC6A2 P23975 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ SLC6A4 P31645 3/20 0.38
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL6121644 1.00 TSHR (0.59) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL6121637 1.00 TSHR (0.59) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL6122960 0.96 TSHR (0.53) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL8519307 0.96 TSHR (0.53) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL6122964 0.96 TSHR (0.53) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL3735855 0.75 TSHR (0.63) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24634980 0.73 PKM (0.56) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL4936082 0.70 MEN1 (0.75) TSHRMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL26631583 0.65 KMT2A (0.54) MEN1KMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL135383 0.65 GSK3B (0.55) MEN1KMT2ASMN1; SMN2HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 — — US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 — — US disclosed
US-20130245049-A1 Novel Antiviral Compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-09-19 — — US disclosed
WO-2012065963-A2 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 — — WO 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-20130245049-A1 Novel Antiviral Compounds MAVS, EIF2AK2, ZC3HAV1 TSHR 4876/4885MEN1 4719/4885KMT2A 3816/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4876/4885MEN1 4719/4885KMT2A 3816/4885

“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.

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