SCHEMBL20161743

SCHEMBL20161743

CS(C)(C)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 2/20 0.34
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
POLB P06746 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM1 P11309 1/20 0.31
LMNA P02545 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
SCHEMBL2550700 0.80 SLC40A1 (0.39) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL22001834 0.80 HSP90AA1 (0.37) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
Hydrazine SCHEMBL27587071 0.77 HSP90AA1 (0.39) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL7835984 0.74 SLC40A1 (0.41) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL329658 0.72 SLC40A1 (0.40) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL12655512 0.72 HSP90AA1 (0.39) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL12622251 0.70 KDM4E (0.47) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL27967561 0.70 SLC40A1 (0.46) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL29497597 0.70 SLC40A1 (0.46) HSP90AA1KDM4ENAPRTHCAR2SLC40A1
SCHEMBL1076499 0.70 CA12 (0.43) HSP90AA1KDM4ENAPRTHCAR2SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HSP90AA1 532/4885KDM4E 4704/4885NAPRT 2342/4885

“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.