SCHEMBL5115065

SCHEMBL5115065

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
MAPT P10636 6/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY2R P49146 1/20 0.41
GAA P10253 3/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL1457183 0.89 HCRTR1 (0.42) MEN1KMT2AHCRTR1MAPTHTT
SCHEMBL5120134 0.88 SMN1; SMN2 (0.47) MEN1KMT2AHCRTR1MAPTHTT
SCHEMBL5121677 0.87 LMNA (0.41) KMT2AMAPTHTTLMNASMN1; SMN2
SCHEMBL5118862 0.86 SMN1; SMN2 (0.47) MEN1KMT2AMAPTHTTLMNA
SCHEMBL5127389 0.86 PDGFRB (0.44) MEN1KMT2AHCRTR1MAPTLMNA
SCHEMBL5114017 0.85 PDGFRB (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5119611 0.84 ALDH1A1 (0.42) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1457155 0.82 NAMPT (0.51) KMT2AMAPTLMNASMN1; SMN2USP2
SCHEMBL5119733 0.81 KMT2A (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL1457493 0.81 LMNA (0.52) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 941/4885KMT2A 4068/4885HCRTR1 3437/4885

“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.