SCHEMBL16364782

SCHEMBL16364782

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ KCNJ1 P48048 3/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 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
SCHEMBL4582800 1.00 TSHR (0.53) TSHRKCNJ1KCNH2ALDH1A1HTT
SCHEMBL19431456 0.92 ALDH1A1 (0.48) TSHRKCNJ1KCNH2ALDH1A1HTT
SCHEMBL8715859 0.83 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL8509511 0.83 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL17985929 0.81 KCNJ1 (0.56) TSHRKCNJ1KCNH2ALDH1A1L3MBTL1
SCHEMBL17986054 0.81 KCNJ1 (0.74) KCNJ1KCNH2
SCHEMBL9610816 0.80 KDM4E (0.65) KCNJ1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8034304 0.80 KDM4E (0.65) KCNJ1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8930758 0.78 SIGMAR1 (0.51) KCNJ1KCNH2ALDH1A1HTTL3MBTL1
SCHEMBL9612255 0.77 CA2 (0.51) ALDH1A1HTTL3MBTL1NPC1RAB9A

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-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 — — US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 — — 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-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS TSHR 586/4885KCNJ1 4425/4885KCNH2 3660/4885

“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.

Send feedback