SCHEMBL6449607

SCHEMBL6449607

CC(N)c1nc(Cl)nc(C(C)N)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRB2 P07550 1/20 0.35
ESR1 P03372 1/20 0.32
NFKB1 P19838 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PNMT P11086 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 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
SCHEMBL28422033 0.97 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL2790765 0.84 ALDH1A1 (0.31) ALDH1A1GAATDP1
SCHEMBL28118989 0.81 SLC6A2 (0.34) PNMT
SCHEMBL7736920 0.81 GAA (0.67) ALDH1A1GAATDP1CYP1A2LMNA
SCHEMBL27651462 0.78 SMN1; SMN2 (0.62) ALDH1A1GAATDP1NFKB1CYP1A2
Isopropylamine SCHEMBL11360242 0.78 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL12452318 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL5131454 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL11311696 0.69 ALDH1A1 (0.38) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL4200435 0.69 ALDH1A1 (0.38) ALDH1A1ALOX15TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054531-A1 N-(phosphonomethyl) glycine (glyphosate) salt, a preparation process thereof, a concentrate composition and a phytotoxic formulation comprising it, and a method to combat weeds in a crop with a formulation thereto REPOSO S.A.I.C. (AR) 2005-03-10 US disclosed
US-5518990-A GERMANIUM COMPOUND AND HERBICIDE SENJU PHARMACEUTICAL CO., LTD. (JP) 1996-05-21 US disclosed
EP-0634099-A1 Method for preventing emergence of algae and antialgal composition Senju Pharmaceutical Co., Ltd. (JP) 1995-01-18 EP disclosed
US-5059704-A Improved rainfastness DOW CORNING CORPORATION (US) 1991-10-22 US disclosed
US-4990175-A Foliar applied herbicidal compositions containing a silicone glycolsilicone alkane terpolymer adjuvant DOW CORNING CORPORATION (US) 1991-02-05 US disclosed
EP-0407473-A1 IMPROVED HERBICIDE FORMULATIONS AND THEIR USE MONSANTO COMPANY (US) 1991-01-16 EP disclosed
EP-0403169-A1 Foliar-applied herbicidal compositions containing a silicone glycol-silicone alkane terpolymer adjuvant DOW CORNING CORPORATION (US) 1990-12-19 EP disclosed
WO-1989012394-A1 IMPROVED HERBICIDE FORMULATIONS AND THEIR USE MONSANTO COMPANY (US) 1989-12-28 WO 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-20050054531-A1 N-(phosphonomethyl) glycine (glyphosate) salt, a preparation process thereof, a concentrate composition and a phytotoxic formulation comprising it, and a method to combat weeds in a crop with a formulation thereto PHOSPHO1, GNMT, AGL ALDH1A1 3960/4885ALOX15 1823/4885TSHR 3055/4885

“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.