SCHEMBL9946197

SCHEMBL9946197

CCCC(=O)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
NAPRT Q6XQN6 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
TSHR P16473 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
MC4R P32245 1/20 0.52
ADRA1A P35348 1/20 0.52
MC3R P41968 1/20 0.52
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.44
HTT P42858 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
SCHEMBL28801662 0.87 KDM4E (0.59) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL2632671 0.84 KDM4E (0.58) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL31703690 0.80 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL2917895 0.80 POLB (0.51) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL17709388 0.79 KDM4E (0.52) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL8940359 0.79 KDM4E (0.52) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL26673244 0.79 TSHR (0.60) KDM4ENAPRTHCAR2TSHRADORA3
Pyrazinamide SCHEMBL30688461 0.78 ADORA3 (0.68) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL8509785 0.77 KDM4E (0.53) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL6603504 0.77 KDM4E (0.53) KDM4ENAPRTHCAR2TSHRADORA3

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179526-A 2-((METHYLTHIO)METHYL)-3-PHENYL-2-PROPENAL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-12-18 US claimed
US-4156029-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-22 US claimed
US-4064279-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064280-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064278-A FRUIT AND VEGETABLE FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US claimed
US-20210395302-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-23 US disclosed
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
US-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE HEALTHCARE LIMITED (GB) 2013-06-13 US disclosed
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20110177612-A1 Human G Protein-Coupled Receptors and Modulators Thereof for the Treatment of Metabolic-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-4859775-A Process for preparing acylpyrazine ethers PHILIP MORRIS INCORPORATED (US) 1989-08-22 US disclosed
US-4154766-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-15 US disclosed
US-4108876-A ORGANOLEPTIC AGENT FOR FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-22 US disclosed
US-4081480-A ORGANOLEPTIC, FLAVORS, ODORS, ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-03-28 US disclosed
US-4064279-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US disclosed
US-4064280-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US disclosed
US-4064278-A FRUIT AND VEGETABLE FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US disclosed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 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 (5 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-20210395302-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS ITGB4, ITGA4, ITGB1 KDM4E 2319/4885NAPRT 2247/4885HCAR2 3006/4885
US-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS CTPS1, CTPS2, MPI KDM4E 3261/4885NAPRT 574/4885HCAR2 2369/4885
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 KDM4E 525/4885NAPRT 2382/4885HCAR2 1394/4885
US-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL KDM4E 3253/4885NAPRT 3686/4885HCAR2 4328/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL KDM4E 3253/4885NAPRT 3686/4885HCAR2 4328/4885

“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.