SCHEMBL4857129

SCHEMBL4857129

CCC(CCCN)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL24058373 1.00 DNM1 (0.33) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL22909000 0.92 DNM1 (0.38) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL19519205 0.90 DNM1 (0.42) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26079812 0.90 DNM1 (0.42) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL11412064 0.86 NFKB1 (0.35) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26720147 0.85 DNM1 (0.31) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26720171 0.83 DNM1 (0.36) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL21126665 0.83
SCHEMBL5933640 0.83
SCHEMBL9191832 0.82 TRPV1 (0.37) DNM1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190247839-A1 MODIFIED POROUS ORGANIC FRAMEWORK AND MANUFACTURING METHOD THEREOF, POROUS ORGANIC FRAMEWORK COMPOSITE AND MANUFACTURING METHOD THEREOF CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2019-08-15 US disclosed
EP-2492265-A1 1,2,4-Thiadiazole Compounds and Pests Controlling Composition Containing the same Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-7371746-B2 1,2,4-Thiadiazole compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-05-13 US disclosed
EP-1765798-A2 1,2,4- THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
US-20070004722-A1 1,2,4-Thiadazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-04 US disclosed
WO-2005037805-A2 1,2,4-THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 WO disclosed
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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-20070004722-A1 1,2,4-Thiadazole compounds and use thereof CYP4F3, CYP4B1, CYP4X1 DNM1 3888/4885ALDH1A1 248/4885MEN1 2175/4885
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B DNM1 906/4885ALDH1A1 3278/4885MEN1 1272/4885

“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.