SCHEMBL2297369

SCHEMBL2297369

CN(C)CCCN(C)c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
ALDH3A1 P30838 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2749099 0.90 MAPT (0.46) HCAR3ALDH1A1KDM4ECYP3A4MAPK1
SCHEMBL1265187 0.86 HCAR3 (0.46) HCAR3ALDH1A1KDM4EMAPK1TDP1
SCHEMBL12382095 0.78 LCK (0.37) MAPK1TSHRTDP1MAPTNPSR1
SCHEMBL1263855 0.78 HCAR3 (0.48) HCAR3ALDH1A1KDM4EMAPTNPSR1
SCHEMBL2971735 0.78 ALDH1A1 (0.56) HCAR3ALDH1A1KDM4EMAPK1TSHR
SCHEMBL7954120 0.75 ALDH1A1 (0.62) HCAR3ALDH1A1KDM4ECYP3A4MAPK1
SCHEMBL1263874 0.74 HCAR3 (0.45) HCAR3ALDH1A1KDM4EMAPTNPSR1
SCHEMBL1959419 0.74 SMN1; SMN2 (0.62) HCAR3ALDH1A1KDM4ETDP1MAPT
SCHEMBL1264437 0.73 HCAR3 (0.44) HCAR3ALDH1A1KDM4EMAPTLMNA
SCHEMBL1408112 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTLMNAKMT2A

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-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 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-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 HCAR3 1162/4885ALDH1A1 3475/4885KDM4E 716/4885

“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.