SCHEMBL20148186

SCHEMBL20148186

N=C(N)N/N=C/c1cccc(/C=N/NC(=N)N)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTH P32929 2/20 0.46
AGTR1 P30556 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38

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
Hydrochloric Acid SCHEMBL3054023 0.98 CTH (0.45) CTHAGTR1POLBKDM4EMAPT
SCHEMBL27111195 0.92 CTH (0.44) CTHAGTR1KDM4EMAPTTDP1
SCHEMBL20150968 0.91 CTH (0.40) CTHAGTR1POLBKDM4EMAPT
SCHEMBL5066364 0.89 CTH (0.41) CTHAGTR1KDM4EMAPTTDP1
SCHEMBL5066363 0.89 CTH (0.41) CTHAGTR1KDM4EMAPTTDP1
SCHEMBL9743902 0.89 CTH (0.62) CTHAGTR1POLBKDM4EMAPT
SCHEMBL13826725 0.81 KDM4E (0.52) CTHAGTR1KDM4ELMNASMN1; SMN2
SCHEMBL13826735 0.81 POLB (0.61) CTHPOLBKDM4EMAPTLMNA
SCHEMBL20148185 0.81 CTH (0.36) CTHKDM4EMAPTMEN1KMT2A
SCHEMBL4100134 0.81 NPC1 (0.59) CTHAGTR1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067860-A1 COMPOSITIONS AND METHODS FOR CARBON DIOXIDE SOLIDIFICATION CHEVRON U.S.A. INC. 2024-02-29 US disclosed
US-20240067860-A1 COMPOSITIONS AND METHODS FOR CARBON DIOXIDE SOLIDIFICATION CHEVRON U.S.A. INC. 2024-02-29 US disclosed
US-10633332-B2 Guanidine compounds for removal of oxyanions from aqueous solutions and for carbon dioxide capture UT-BATTELLE, LLC (US) 2020-04-28 US disclosed
US-20180134655-A1 GUANIDINE COMPOUNDS FOR REMOVAL OF OXYANIONS FROM AQUEOUS SOLUTIONS AND FOR CARBON DIOXIDE CAPTURE U.S. DEPARTMENT OF ENERGY 2018-05-17 US disclosed
US-20180134655-A1 GUANIDINE COMPOUNDS FOR REMOVAL OF OXYANIONS FROM AQUEOUS SOLUTIONS AND FOR CARBON DIOXIDE CAPTURE U.S. DEPARTMENT OF ENERGY 2018-05-17 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 (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-10633332-B2 Guanidine compounds for removal of oxyanions from aqueous solutions and for carbon dioxide capture GUCY1A1, GUCY1A2, GUCY1B1 CTH 1990/4885AGTR1 1538/4885POLB 343/4885
US-20180134655-A1 GUANIDINE COMPOUNDS FOR REMOVAL OF OXYANIONS FROM AQUEOUS SOLUTIONS AND FOR CARBON DIOXIDE CAPTURE GUCY1A1, GUCY1A2, GUCY1B1 CTH 1990/4885AGTR1 1538/4885POLB 343/4885

“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.