SCHEMBL1937657

SCHEMBL1937657

CCCCCCCCCCCCNC(=N)NC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.45
CASP2 P42575 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 2/20 0.39
NAAA Q02083 1/20 0.39
PLA2G2A P14555 1/20 0.39
SPHK1 Q9NYA1 3/20 0.38
MGLL Q99685 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
SCHEMBL918587 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937986 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL2152762 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726308 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726259 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11810751 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL12669343 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11125409 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937316 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11808849 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032768-A1 Double end-capped polymeric biguanides STOCKEL RICHARD (US) 2003-02-13 US claimed
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE HAMARI CHEMICALS, LTD. (JP) 2011-08-25 US disclosed
EP-2332925-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE Hamari Chemicals, Ltd. (JP) 2011-06-15 EP disclosed
US-4843115-A LOW MOLD DEPOSITS; SUPERPOLYAMIDE AND BENZOGUANAMINE HOECHST CELANESE CORPORATION (US) 1989-06-27 US disclosed
EP-0289142-A2 Polyacetal molding compositions HOECHST CELANESE CORPORATION (US) 1988-11-02 EP disclosed
EP-0270279-A1 Polyacetal stabilizer formulation with improved color stability HOECHST CELANESE CORPORATION (US) 1988-06-08 EP disclosed
US-4731396-A Thermal stabilization of acetal polymers CELANESE CORPORATION (US) 1988-03-15 US disclosed
EP-0235927-A2 Stabilized oxymethylene polymers CELANESE CORPORATION (US) 1987-09-09 EP disclosed
EP-0185543-A2 Thermal stabilization of acetal polymers CELANESE CORPORATION (US) 1986-06-25 EP disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4024105-A PLASTICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed
US-3969292-A Stabilized molding compositions based on poly(oxymethylene) HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 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 (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-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE QDPR, DRD4, DRD1 EPHX1 4731/4885CASP2 459/4885ZDHHC20 3377/4885

“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.