SCHEMBL5114396

SCHEMBL5114396

CSc1ccccc1NC(=S)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPA1 O75762 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
KCNH2 Q12809 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
RBP4 P02753 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 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
SCHEMBL5127785 0.92 RBP4 (0.47) KDM4ETRPA1TRPV1KCNH2TRPM8
SCHEMBL5119805 0.89 ALDH1A1 (0.50) PHGDHMEN1KMT2AMAPTKDM4E
SCHEMBL1457791 0.88 TRPA1 (0.41) TRPA1TRPV1KCNH2TRPM8RBP4
SCHEMBL5126853 0.87 SMN1; SMN2 (0.51) PHGDHMEN1KMT2AMAPTKDM4E
SCHEMBL5120186 0.84 KDM4E (0.52) KDM4ETRPA1TRPV1KCNH2TRPM8
SCHEMBL5119463 0.83 TRPA1 (0.47) PHGDHMAPTTRPA1TRPV1KCNH2
SCHEMBL5115851 0.83 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5121480 0.81 TRPA1 (0.51) MAPTTRPA1TRPV1KCNH2TRPM8
SCHEMBL5112268 0.81 RBP4 (0.47) KDM4ETRPA1TRPV1KCNH2TRPM8
SCHEMBL5112970 0.81 TRPV1 (0.54) TRPA1TRPV1KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 PHGDH 2036/4885MEN1 941/4885KMT2A 4068/4885

“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.