SCHEMBL3206859

SCHEMBL3206859

Cn1cnc(C(N)CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.46
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CPB1 P15086 3/20 0.35
FPR1 P21462 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CPA1 P15085 2/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CACNB3 P54284 1/20 0.30

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
SCHEMBL23038435 0.77 CPB2 (0.49) CPB2CYP2C19CYP2C9TSHRMTOR
SCHEMBL3255442 0.77 CYP2C9 (0.41) CPB2CYP2C19CYP2C9TSHRMTOR
SCHEMBL16645474 0.73 GRIA4 (0.36) IRAK4HTTKDM4E
SCHEMBL24501678 0.72
Hydrochloric Acid SCHEMBL9460338 0.71 CPB2 (0.41) CPB2CYP2C19CYP2C9TSHRMTOR
SCHEMBL9953903 0.70 CPB2 (0.43) CPB2CYP2C19CYP2C9TSHRMTOR
SCHEMBL16150119 0.69 KDM4E (0.41) TSHRTDP1KMT2ASMN1; SMN2HTT
SCHEMBL10065632 0.69 KMT2A (0.33) KMT2ASMN1; SMN2
SCHEMBL21690268 0.69 KMT2A (0.33) KMT2ASMN1; SMN2
SCHEMBL6240870 0.69 KMT2A (0.33) KMT2ASMN1; SMN2

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
US-9779901-B2 High temperature material compositions for high temperature thermal cutoff devices THERM-O-DISC, INCORPORATED (US) 2017-10-03 US disclosed
US-20150162153-A1 HIGH TEMPERATURE MATERIAL COMPOSITIONS FOR HIGH TEMPERATURE THERMAL CUTOFF DEVICES THERM-O-DISC, INCORPORATED (US) 2015-06-11 US disclosed
US-8961832-B2 High temperature material compositions for high temperature thermal cutoff devices THERM-O-DISC, INCORPORATED (US) 2015-02-24 US disclosed
US-20120121795-A1 HIGH TEMPERATURE MATERIAL COMPOSITIONS FOR HIGH TEMPERATURE THERMAL CUTOFF DEVICES THERM-O-DISC, INCORPORATED (US) 2012-05-17 US disclosed
US-20100033295-A1 HIGH TEMPERATURE THERMAL CUTOFF DEVICE THERM-O-DISC, INCORPORATED (US) 2010-02-11 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-20120121795-A1 HIGH TEMPERATURE MATERIAL COMPOSITIONS FOR HIGH TEMPERATURE THERMAL CUTOFF DEVICES HTT, HTR1A, TPH1 CPB2 3725/4885CYP2C19 1336/4885CYP2C9 1341/4885

“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.