SCHEMBL8519307

SCHEMBL8519307

Cc1ccc(C(=O)CN2CCC/C2=N\C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PKM P14618 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CHRM2 P08172 1/20 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
SCHEMBL6122960 1.00 TSHR (0.53) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL6122964 1.00 TSHR (0.53) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL6121644 0.96 TSHR (0.59) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL6121637 0.96 TSHR (0.59) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL8521747 0.96 TSHR (0.59) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL24634980 0.76 PKM (0.56) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL3735855 0.71 TSHR (0.63) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL4936082 0.68 MEN1 (0.75) TSHRMEN1KMT2AHSD17B10MAPT
SCHEMBL4338476 0.68 ALDH1A1 (0.52) KMT2AMAPTRAB9ASMN1; SMN2HTT
SCHEMBL6327081 0.67 CHRM2 (0.64) TSHRMEN1KMT2AMAPTHTT

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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