SCHEMBL16227724

SCHEMBL16227724

CCCCCCCCCCC(O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
SCN5A Q14524 1/20 0.43
KCND3 Q9UK17 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6000906 1.00 KCNA5 (0.47) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL28331181 1.00 KCNA5 (0.47) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL7293012 0.98 KCNA5 (0.49) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL8986648 0.98 KCNA5 (0.49) KCNA5KCNH2KDM4ELMNAALOX12
Hydrochloric Acid SCHEMBL8608055 0.97 KCNA5 (0.47) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL7275282 0.93 KCNA5 (0.50) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL1526122 0.93 KCNA5 (0.50) KCNA5KCNH2KDM4ELMNAALOX12
SCHEMBL30596267 0.87 KCNA5 (0.51) KCNA5KCNH2KDM4ELMNASMN1; SMN2
SCHEMBL2230732 0.87 KCNA5 (0.51) KCNA5KCNH2KDM4ELMNASMN1; SMN2
SCHEMBL7687239 0.85 LMNA (0.44) KDM4ELMNAALOX12SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592226-B2 Solenopsin and derivatives, therapeutic compositions; and methods related thereto EMORY UNIVERSITY (US) 2017-03-14 US disclosed
US-20150306082-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-20140335079-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-11-13 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 (2 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-20150306082-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO AGPS, CYP27A1, CYP11A1 KCNA5 3197/4885KCNH2 4485/4885KDM4E 2499/4885
US-20140335079-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO AGPS, CYP27A1, CYP11A1 KCNA5 3197/4885KCNH2 4485/4885KDM4E 2499/4885

“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.