SCHEMBL4294748

SCHEMBL4294748

CCN(C(N)=O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 4/20 0.43
ESR1 P03372 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.39
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL2754177 0.86 TP53 (0.41) TSHRALDH1A1GLATP53ESR1
SCHEMBL17078095 0.84 TSHR (0.48) TSHRALDH1A1GLATP53ESR1
SCHEMBL6692681 0.84 TSHR (0.44) TSHRALDH1A1GLATP53ESR1
SCHEMBL5433776 0.82 TP53 (0.38) TSHRALDH1A1GLATP53ESR1
SCHEMBL27365569 0.79 TSHR (0.57) TSHRALDH1A1GLATP53MAPT
SCHEMBL11381 0.79 MLYCD (0.46) TSHRALDH1A1GLATP53ESR1
SCHEMBL27635669 0.79 RORC (0.42) TSHRESR1MAPTTDP1LMNA
SCHEMBL29173201 0.78 CYP3A4 (0.48) TSHRALDH1A1GLATP53ESR1
SCHEMBL4409110 0.77 ALDH1A1 (0.46) TSHRALDH1A1GLATP53TDP1
SCHEMBL30301237 0.77 CYP3A4 (0.70) TSHRALDH1A1GLATP53ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 TSHR 1001/4885ALDH1A1 2271/4885GLA 3257/4885

“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.