SCHEMBL2995386

SCHEMBL2995386

Cc1c(C#N)cccc1C(N)=NO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NISCH Q9Y2I1 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC9A1 P19634 2/20 0.32
AR P10275 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10454257 1.00 TSHR (0.38) TSHRGAALMNAL3MBTL1NISCH
SCHEMBL1423395 0.82 GAA (0.46) TSHRGAALMNAL3MBTL1MEN1
SCHEMBL1423398 0.82 GAA (0.46) TSHRGAALMNAL3MBTL1MEN1
SCHEMBL13254942 0.79 PARP1 (0.45) TSHRALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL102965 0.76 LMNA (0.43) TSHRGAALMNAL3MBTL1MEN1
SCHEMBL16957794 0.76 TSHR (0.45) TSHRLMNANISCHP2RX7ALDH1A1
SCHEMBL102966 0.76 LMNA (0.43) TSHRGAALMNAL3MBTL1MEN1
SCHEMBL2134045 0.74 TRPA1 (0.45) TSHRGAALMNAL3MBTL1MEN1
SCHEMBL27384246 0.74 CYP3A4 (0.50) TSHRGAALMNAL3MBTL1KMT2A
SCHEMBL3415796 0.74 TRPA1 (0.45) TSHRGAALMNAL3MBTL1MEN1

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
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 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 (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-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TSHR 3071/4885GAA 83/4885LMNA 2248/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 TSHR 2173/4885GAA 650/4885LMNA 2289/4885

“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.