SCHEMBL17788511

SCHEMBL17788511

CNCCOc1cccc2ccc(C)nc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.59
HTR1B P28222 2/20 0.56
HTR1D P28221 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BDKRB2 P30411 1/20 0.52
SLC6A4 P31645 1/20 0.51
HRH1 P35367 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
MCHR1 Q99705 3/20 0.49
POLB P06746 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL9952211 0.84 KDM4E (0.65) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL10063463 0.81 MCHR1 (0.70) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL1115678 0.81 MAPT (0.60) KDM4ELMNAHTTHTR1BHTR1D
SCHEMBL10029548 0.80 MEN1 (0.65) KDM4ELMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL5838632 0.80 MAPT (0.59) KDM4ELMNAHTTHTR1BHTR1D
SCHEMBL4137529 0.79 MEN1 (0.63) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL28065654 0.79 MCHR1 (0.72) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL10682868 0.79 MCHR1 (0.72) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL5884414 0.78 MCHR1 (0.74) KDM4ELMNAHTTMCHR1
SCHEMBL25869080 0.78 MEN1 (0.61) KDM4ELMNAHTTMEN1KMT2A

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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 KDM4E 4695/4885LMNA 2112/4885HTT 319/4885

“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.