SCHEMBL16480239

SCHEMBL16480239

C=C(C)C(=O)NCCNF

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL316224 0.88 TGFBR1 (0.41) TGFBR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16267884 0.81 TGFBR1 (0.38) TGFBR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11866190 0.81 TGFBR1 (0.38) TGFBR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16384922 0.81 EPHX1 (0.39) TGFBR1ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL2612361 0.81 KDM4E (0.50) TGFBR1ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL112305 0.79 TGFBR1 (0.36) TGFBR1ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL1160400 0.79
SCHEMBL511744 0.78 TGFBR1 (0.33) TGFBR1ALDH1A1
SCHEMBL2428291 0.78 TGFBR1 (0.33) TGFBR1ALDH1A1
SCHEMBL632876 0.78 KDM4E (0.46) TGFBR1ALDH1A1KDM4EMAPK1HIF1A

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-9181375-B2 Fluorescent potassium ion sensors ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-10 US disclosed
US-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS Arizona Board of Regents, a body corporate of the State of Arizona Acting for and on behalf of Arizo (US) 2014-07-17 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-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS KCNN1, KCNN2, KCNN3 TGFBR1 3152/4885ALDH1A1 3959/4885NPC1 1193/4885

“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.